Geometry & MOs

Info

ID:	284069
PubChem CID:	104032719
Reduced:	IN3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	70.75
Dipole, Da:	2.96
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-4-N-(4-methylsulfonylphenyl)pyridine-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)NC2=CC=CC=C2I

DOS

IR

Vibrations