Geometry & MOs

Info

ID:	161482
PubChem CID:	57391777
Reduced:	NC16H21 (1)
Stoich.:	AB16C21 (1)
Weight, g/mol:	396.175025
ΔH_f, kcal/mol:	-9.51
Dipole, Da:	1.35
IP(EA), eV:	-9.06(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C2)C4=CC=CC=C34)N

DOS

IR

Vibrations