Geometry & MOs

Info

ID:	407467
PubChem CID:	135080183
Reduced:	O2H12C13 (1)
Stoich.:	A2B12C13 (1)
Weight, g/mol:	268.053404
ΔH_f, kcal/mol:	-29.38
Dipole, Da:	1.89
IP(EA), eV:	-9.73(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-(3,5-dichlorophenyl)pyrazole

Drug info:

PubChemData

Smile

CC1=CC(C=CC1=O)(C2=CC=CC=C2)O

DOS

IR

Vibrations