Geometry & MOs

Info

ID:	294234
PubChem CID:	117438642
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	274.069737
ΔH_f, kcal/mol:	-82.11
Dipole, Da:	8.53
IP(EA), eV:	-8.76(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(2-methylsulfanyl-3-methylsulfonylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C(C)C)C=CC(=C2)CC(C)(C)C(=O)O

DOS

IR

Vibrations