Geometry & MOs

Info

ID:	168919
PubChem CID:	75041281
Reduced:	NO10C17H22 (4)
Stoich.:	AB10C17D22 (4)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-1748.33
Dipole, Da:	6.28
IP(EA), eV:	-9.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-prop-1-ynylphenyl)butylidene]hydroxylamine

Drug info:

Smile

CC(=O)OCC1C(C(C(C(O1)OC2C(C3C(=O)N(C4=CC=C(C=C4)N(C(=O)C5C(C(C(C(O5)OCCCCOC(C2OC(=O)C)O3)OC(=O)C)OC6C(C(C(C(O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CC(=O)NCC(=O)OC)CC(=O)NCC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations