Geometry & MOs

Info

ID:	194631
PubChem CID:	78566174
Reduced:	OF2N2H12C19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	388.178693
ΔH_f, kcal/mol:	-26.15
Dipole, Da:	7.43
IP(EA), eV:	-8.95(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)C(=CC3=C(C=CC=C3F)F)C#N

DOS

IR

Vibrations