Geometry & MOs

Info

ID:	203617
PubChem CID:	79852503
Reduced:	BrOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	276.220164
ΔH_f, kcal/mol:	-59.94
Dipole, Da:	2.45
IP(EA), eV:	-9.34(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1(CCCCC1(CC2=CC=C(C=C2)Br)O)C

DOS

IR

Vibrations