Geometry & MOs

Info

ID:	257356
PubChem CID:	103145429
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-56.02
Dipole, Da:	6.55
IP(EA), eV:	-9.54(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,5-dimethyl-4-nitrophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=C(C=C(C(=C1)C)[N+](=O)[O-])C)N

DOS

IR

Vibrations