Geometry & MOs

Info

ID:	390903
PubChem CID:	135001515
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	-59.68
Dipole, Da:	3.47
IP(EA), eV:	-9.57(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-butylsulfonylphenyl)-3-methylpyridine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)/C=C/CCO

DOS

IR

Vibrations