Geometry & MOs

Info

ID:	156821
PubChem CID:	56394544
Reduced:	ClO3N4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	489.08187
ΔH_f, kcal/mol:	-145.31
Dipole, Da:	3.17
IP(EA), eV:	-8.49(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCC3CCN(C3)C4=C(C=CC(=C4)Cl)C

DOS

IR

Vibrations