Geometry & MOs

Info

ID:	257299
PubChem CID:	103145028
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-50.44
Dipole, Da:	9.23
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethyl-4-nitroanilino)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations