Geometry & MOs

Info

ID:	54319
PubChem CID:	16997017
Reduced:	N2O2C27H30 (1)
Stoich.:	A2B2C27D30 (1)
Weight, g/mol:	497.03058
ΔH_f, kcal/mol:	-8.42
Dipole, Da:	4.15
IP(EA), eV:	-8.73(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N=C2COC4=CC=CC=C4

DOS

IR

Vibrations