Geometry & MOs

Info

ID:	54307
PubChem CID:	16966285
Reduced:	O2N4C29H32 (1)
Stoich.:	A2B4C29D32 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	14.62
Dipole, Da:	1.97
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C=CCC1=CC=CC=C1OCCCCN2C3=CC=CC=C3N=C2CCCNC(=O)C4=CC=CC=N4

DOS

IR

Vibrations