Geometry & MOs

Info

ID:	61556
PubChem CID:	26710430
Reduced:	FNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	287.14339
ΔH_f, kcal/mol:	-118.82
Dipole, Da:	7.1
IP(EA), eV:	-8.55(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-fluoro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC(=C(C=C2)C)F)OC

DOS

IR

Vibrations