Geometry & MOs

Info

ID:	137316
PubChem CID:	52189860
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-93.06
Dipole, Da:	8.08
IP(EA), eV:	-8.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,5-dimethoxyphenyl)-N-(2-methyl-3-nitrophenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)N2CCC[C@@H]2C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations