Geometry & MOs

Info

ID:	210653
PubChem CID:	80835818
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-4.17
Dipole, Da:	7.99
IP(EA), eV:	-8.44(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(2-methylazepan-1-yl)-2-nitroaniline

Drug info:

PubChemData

Smile

CC1CCCCCN1C2=CC(=CC(=C2)NC)[N+](=O)[O-]

DOS

IR

Vibrations