Geometry & MOs

Info

ID:	245549
PubChem CID:	99453843
Reduced:	FON7H14C18 (1)
Stoich.:	ABC7D14E18 (1)
Weight, g/mol:	400.073846
ΔH_f, kcal/mol:	96.1
Dipole, Da:	5.65
IP(EA), eV:	-9.33(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chloro-3-nitrophenyl)-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)N3C=NN=N3)C4=CC=CC=C4F

DOS

IR

Vibrations