Geometry & MOs

Info

ID:	291675
PubChem CID:	113459371
Reduced:	ClO2N3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-9.26
Dipole, Da:	8.72
IP(EA), eV:	-8.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-ol

Drug info:

PubChemData

Smile

CCCC(CN)NC1=C(C(=CC=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations