Geometry & MOs

Info

ID:	137315
PubChem CID:	52189859
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-97.82
Dipole, Da:	7.85
IP(EA), eV:	-8.87(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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=C(C=C3)OC)OC

DOS

IR

Vibrations