Geometry & MOs

Info

ID:	216362
PubChem CID:	85086096
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	258.107836
ΔH_f, kcal/mol:	-25.05
Dipole, Da:	1.76
IP(EA), eV:	-8.36(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylphenyl)sulfanyl-2-phenylethanol

Drug info:

PubChemData

Smile

CCCCC(=CC(=O)C=C(C)NC1=CC=CC=C1)N

DOS

IR

Vibrations