Geometry & MOs

Info

ID:	205325
PubChem CID:	80086449
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	23.09
Dipole, Da:	6.96
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-methyl-2-nitro-N-(piperidin-4-ylmethyl)aniline

Drug info:

PubChemData

Smile

CCN(C1CNC1)C2=C(C=CC(=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations