Geometry & MOs

Info

ID:	292760
PubChem CID:	117358254
Reduced:	N2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	242.097666
ΔH_f, kcal/mol:	77.38
Dipole, Da:	4.35
IP(EA), eV:	-8.51(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dimethyl-5-methylsulfonylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CN1CC(C1)C2=CC=C(C=C2)C3=C(N(N=C3)C)N

DOS

IR

Vibrations