Geometry & MOs

Info

ID:	8155
PubChem CID:	75175
Reduced:	O2C15H24 (1)
Stoich.:	A2B15C24 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-114.88
Dipole, Da:	3.22
IP(EA), eV:	-8.51(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)O)O)C(C)(C)CC(C)(C)C

DOS

IR

Vibrations