Geometry & MOs

Info

ID:	171997
PubChem CID:	75451939
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	385.181313
ΔH_f, kcal/mol:	39.36
Dipole, Da:	1.29
IP(EA), eV:	-9.17(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(difluoromethoxy)-4-nitroanilino]piperidin-1-yl]-2-ethylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)CNC1=NC=NC2=C1C(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations