Geometry & MOs

Info

ID:	83895
PubChem CID:	49862283
Reduced:	O2N3C27H41 (1)
Stoich.:	A2B3C27D41 (1)
Weight, g/mol:	479.161184
ΔH_f, kcal/mol:	-69.96
Dipole, Da:	3.33
IP(EA), eV:	-8.63(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1H-benzimidazol-2-yl)-3-chlorophenyl]-3,4,5-triethoxybenzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CN2CCCCC2)/C(=N/OC(=O)NC3=CC=CC=C3)/C4CCCCC4

DOS

IR

Vibrations