Geometry & MOs

Info

ID:	315879
PubChem CID:	126629237
Reduced:	ClN5O5C31H42 (1)
Stoich.:	AB5C5D31E42 (1)
Weight, g/mol:	229.085127
ΔH_f, kcal/mol:	-202.74
Dipole, Da:	3.28
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol

Drug info:

PubChemData

Smile

CCC1=CC(=C2C=CC(=C(C2=N1)C)/C=C/C(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N3CCCC(N3)C(=O)O)Cl

DOS

IR

Vibrations