Geometry & MOs

Info

ID:	149981
PubChem CID:	53789664
Reduced:	N17O45C212H411 (1)
Stoich.:	A17B45C212D411 (1)
Weight, g/mol:	153.115364
ΔH_f, kcal/mol:	-2706.75
Dipole, Da:	12.87
IP(EA), eV:	-8.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-yl-2H-pyridin-2-ol

Drug info:

Smile

CCC(C)C1=CC=CC=C1.CCC(C)C1=CC=C(C=C1)C(=O)NCCO.CCC(C)C1=CC=C(C=C1)C(=O)N(CCO)CCO.CCC(C)C(=O)N.CCC(C)C(=O)NC.CCC(C)C(=O)NCC.CCC(C)C(=O)NCCOCCOCCOCCOC.CCC(C)C(=O)NC(C)C.CCC(C)C(=O)N1CCCC1.CCC(C)C(=O)N1CCOCC1.CCC(C)C(=O)N(C)C.CCC(C)C(=O)N(CCO)CCO.CCC(C)C(=O)OCCO.CCC(C)N1CCCCC1O.CCC(C)N1CCCC1O.CCC(C)N1CCCOC1O.CCC(C)N1C=CC=CC1O.CCC(C)N1C(CCC1=O)O.CCC(C)(C)C.CCC(C)(C)CO.CCC(C)(C)C(=O)N.CCC(C)(C)C(=O)OCCO.CCC(C)(C)C(=O)OCCO.CCC(C)(C)C(=O)OCO.CCO.CO.C1=CC=C(C=C1)CO

DOS

IR

Vibrations