Geometry & MOs

Info

ID:	178640
PubChem CID:	76360809
Reduced:	F3N3O3H18C23 (1)
Stoich.:	A3B3C3D18E23 (1)
Weight, g/mol:	380.104003
ΔH_f, kcal/mol:	-182.0
Dipole, Da:	5.35
IP(EA), eV:	-8.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(3-chloro-4-methylphenyl)prop-2-enoylamino]phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC(=O)C=C(C2=CC=CC=C2)C(F)(F)F)NC(=O)C3=CN=CC=C3

DOS

IR

Vibrations