Geometry & MOs

Info

ID:	266389
PubChem CID:	103564309
Reduced:	BrO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	224.214016
ΔH_f, kcal/mol:	-84.85
Dipole, Da:	4.67
IP(EA), eV:	-8.72(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylcyclohexyl)-3-propan-2-ylcyclobutan-1-ol

Drug info:

PubChemData

Smile

CC(C)C1CC(C1)(CC2=C(C=CC(=C2)OC)Br)O

DOS

IR

Vibrations