Geometry & MOs

Info

ID:	44139
PubChem CID:	10501079
Reduced:	C15H19 (2)
Stoich.:	A15B19 (2)
Weight, g/mol:	396.981723
ΔH_f, kcal/mol:	113.5
Dipole, Da:	0.13
IP(EA), eV:	-8.77(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-((18F)fluoranylmethyl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC12CC(C1)(C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C56CC(C5)(C6)CCCC

DOS

IR

Vibrations