Geometry & MOs

Info

ID:	39347
PubChem CID:	8140393
Reduced:	O2N3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-33.4
Dipole, Da:	4.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.004191
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NCC3=CC=CC=C3C[NH+](C)C

DOS

IR

Vibrations