Geometry & MOs

Info

ID:	72205
PubChem CID:	48415922
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	410.15902
ΔH_f, kcal/mol:	6.92
Dipole, Da:	8.57
IP(EA), eV:	-9.22(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-(1H-benzimidazol-2-yl)propyl-methylcarbamoyl]-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CCCC1=NC2=CC=CC=C2N1)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations