Geometry & MOs

Info

ID:	61902
PubChem CID:	26715542
Reduced:	O2N5H15C19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	321.12774
ΔH_f, kcal/mol:	32.27
Dipole, Da:	7.82
IP(EA), eV:	-8.41(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-fluoro-4-methylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)NC3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations