Geometry & MOs

Info

ID:	134304
PubChem CID:	51677021
Reduced:	ON4C25H26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	464.23246
ΔH_f, kcal/mol:	40.63
Dipole, Da:	3.88
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-(1H-benzimidazol-2-yl)-4-[4-(dimethylamino)benzoyl]piperazin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)N1CCN([C@H](C1)C2=NC3=CC=CC=C3N2)C(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations