Geometry & MOs

Info

ID:	237071
PubChem CID:	92717150
Reduced:	ClN2O5H19C25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-125.14
Dipole, Da:	5.96
IP(EA), eV:	-9.54(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(1-methylbenzimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)Cl)NC(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations