Geometry & MOs

Info

ID:	379453
PubChem CID:	134419537
Reduced:	OSC15H24 (1)
Stoich.:	ABC15D24 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-70.41
Dipole, Da:	2.56
IP(EA), eV:	-8.95(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-hydroxyethyl)phenyl]-4,4-dimethylpentan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)CC1=C(C=CC(=C1)CCS)CCO

DOS

IR

Vibrations