Geometry & MOs

Info

ID:	72116
PubChem CID:	48415828
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-54.62
Dipole, Da:	5.86
IP(EA), eV:	-8.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-ethoxy-N-methyl-4-propoxybenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CSC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations