Geometry & MOs

Info

ID:	260158
PubChem CID:	103183450
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-45.57
Dipole, Da:	4.22
IP(EA), eV:	-8.59(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-2-[(4-methylphenyl)sulfonylmethyl]pyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1N)C)CSCC(C)CO

DOS

IR

Vibrations