Geometry & MOs

Info

ID:	268363
PubChem CID:	103599091
Reduced:	FN3O5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	384.159769
ΔH_f, kcal/mol:	-104.12
Dipole, Da:	2.39
IP(EA), eV:	-9.07(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-nitrophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC(=O)NNC(=O)C=CC2=C(C=C(C=C2)F)[N+](=O)[O-])C

DOS

IR

Vibrations