Geometry & MOs

Info

ID:	205836
PubChem CID:	80163511
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	280.080769
ΔH_f, kcal/mol:	-18.56
Dipole, Da:	7.69
IP(EA), eV:	-9.51(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-2-[(6-nitro-1H-benzimidazol-2-yl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C)N(CCCO)C1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations