Geometry & MOs

Info

ID:	237056
PubChem CID:	92717103
Reduced:	BrO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	468.11609
ΔH_f, kcal/mol:	-10.92
Dipole, Da:	6.2
IP(EA), eV:	-9.18(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-(2-bromophenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

COCCN1C2=CC=CC=C2N=C1[C@@H]3CC(=O)N(C3)C4=CC=CC=C4Br

DOS

IR

Vibrations