Geometry & MOs

Info

ID:	268352
PubChem CID:	103599032
Reduced:	FN4O4H17C20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	373.143784
ΔH_f, kcal/mol:	-22.3
Dipole, Da:	6.51
IP(EA), eV:	-9.0(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluoro-2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCCN2C=CC=N2)NC(=O)C=CC3=C(C=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations