Geometry & MOs

Info

ID:	18642
PubChem CID:	545072
Reduced:	ON4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	318.148061
ΔH_f, kcal/mol:	71.97
Dipole, Da:	2.58
IP(EA), eV:	-8.44(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-imino-1H-isoindol-2-yl)-1,5-dimethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3CC4=CC=CC=C4C3=N

DOS

IR

Vibrations