Geometry & MOs

Info

ID:	294161
PubChem CID:	117429223
Reduced:	SO4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	270.16198
ΔH_f, kcal/mol:	-153.56
Dipole, Da:	6.15
IP(EA), eV:	-8.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-phenylmethoxyphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1SC)OC)OC)C(=O)O

DOS

IR

Vibrations