Geometry & MOs

Info

ID:	257333
PubChem CID:	103145341
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-60.15
Dipole, Da:	10.06
IP(EA), eV:	-9.27(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)C2CCCCCN2

DOS

IR

Vibrations