Geometry & MOs

Info

ID:	178503
PubChem CID:	76338613
Reduced:	FON4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	400.189926
ΔH_f, kcal/mol:	13.32
Dipole, Da:	1.61
IP(EA), eV:	-9.05(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-(3-oxo-1,2-dihydroisoindol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C=CC2=CC=NC=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations