Geometry & MOs

Info

ID:	54313
PubChem CID:	16978185
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	425.246713
ΔH_f, kcal/mol:	-64.43
Dipole, Da:	5.95
IP(EA), eV:	-8.94(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

CCOCCN1C2=CC=CC=C2N=C1CCNC(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations