Geometry & MOs

Info

ID:	72325
PubChem CID:	48416048
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-12.37
Dipole, Da:	4.67
IP(EA), eV:	-8.97(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-prop-2-enoxybenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCNC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations