Geometry & MOs

Info

ID:	145043
PubChem CID:	53451938
Reduced:	OSN4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	456.161997
ΔH_f, kcal/mol:	86.13
Dipole, Da:	8.72
IP(EA), eV:	-8.91(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-4-(2-methylsulfonyl-5-phenyl-1,3-dihydropyrazol-3-yl)-1-phenylpyrazole

Drug info:

PubChemData

Smile

CCC1=NC2=NC(=O)C(=CC3=CC=C(C=C3)SC)N2NC1=CC

DOS

IR

Vibrations