Geometry & MOs

Info

ID:	205835
PubChem CID:	80163510
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	22.89
Dipole, Da:	9.32
IP(EA), eV:	-8.94(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-nitro-1H-benzimidazol-2-yl)-propan-2-ylamino]propan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CN)NC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations