Geometry & MOs

Info

ID:	55998
PubChem CID:	17398282
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	411.20591
ΔH_f, kcal/mol:	0.37
Dipole, Da:	5.08
IP(EA), eV:	-8.75(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)C4=CC=NC=C4

DOS

IR

Vibrations