Geometry & MOs

Info

ID:	25426
PubChem CID:	624726
Reduced:	O2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	364.07864
ΔH_f, kcal/mol:	-79.86
Dipole, Da:	4.17
IP(EA), eV:	-8.66(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)-(5-cyclohexyl-5-hydroxy-3-methyl-4H-pyrazol-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2C(CCC3(C2CCC3=O)C)C4=C1C=C(C=C4)O

DOS

IR

Vibrations