Geometry & MOs

Info

ID:	182390
PubChem CID:	76884237
Reduced:	FO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	399.114983
ΔH_f, kcal/mol:	-34.28
Dipole, Da:	7.85
IP(EA), eV:	-8.29(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-(3-fluoro-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)NC3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations