Geometry & MOs

Info

ID:	39337
PubChem CID:	8140351
Reduced:	ClO2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-39.51
Dipole, Da:	4.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.002273
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations