Geometry & MOs

Info

ID:	137314
PubChem CID:	52189858
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-93.02
Dipole, Da:	7.28
IP(EA), eV:	-8.77(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,4-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=C(C=C3)OC)OC

DOS

IR

Vibrations