Geometry & MOs

Info

ID:	9531
PubChem CID:	90603
Reduced:	OC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-82.14
Dipole, Da:	3.07
IP(EA), eV:	-9.54(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-phenylpropane-1,3-diol

Drug info:

PubChemData

Smile

CC(CO)(CO)C1=CC=CC=C1

DOS

IR

Vibrations