Geometry & MOs

Info

ID:	268338
PubChem CID:	103598985
Reduced:	FN2O5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	395.139368
ΔH_f, kcal/mol:	-97.52
Dipole, Da:	6.64
IP(EA), eV:	-9.07(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-nitrophenyl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C=CC3=C(C=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations