Geometry & MOs

Info

ID:	407616
PubChem CID:	135080365
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-89.74
Dipole, Da:	3.53
IP(EA), eV:	-9.56(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-phenylheptane-2,3-diol

Drug info:

PubChemData

Smile

CC(=O)CC1(CCCCC1)OCC2=CC=CC=C2

DOS

IR

Vibrations