Geometry & MOs

Info

ID:	151022
PubChem CID:	53790719
Reduced:	NOC12H13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	262.110613
ΔH_f, kcal/mol:	-51.93
Dipole, Da:	6.33
IP(EA), eV:	-9.34(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-diphenyl-1H-pyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=C(N(C(=O)NC1=O)CC=CC2=CC=CC=C2)CC3=CC(=CC(=C3)C)C

DOS

IR

Vibrations