Geometry & MOs

Info

ID:	257352
PubChem CID:	103145410
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-58.51
Dipole, Da:	10.28
IP(EA), eV:	-9.22(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(CCNC1)C(=O)NC2=C(C=C(C(=C2)C)[N+](=O)[O-])C

DOS

IR

Vibrations