Geometry & MOs

Info

ID:	257351
PubChem CID:	103145406
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-87.37
Dipole, Da:	9.0
IP(EA), eV:	-9.44(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethyl-4-nitrophenyl)-3-ethylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)C2CC(CN2)OC

DOS

IR

Vibrations