Geometry & MOs

Info

ID:	240344
PubChem CID:	93577401
Reduced:	ON2C24H24 (1)
Stoich.:	AB2C24D24 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	31.57
Dipole, Da:	2.68
IP(EA), eV:	-8.53(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[2-[(R)-hydroxy(phenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C(=N2)[C@H](C3=CC=CC=C3)O)[C@H](C)C4=CC=CC=C4

DOS

IR

Vibrations