Geometry & MOs

Info

ID:	433038
PubChem CID:	135173175
Reduced:	NC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	226.077599
ΔH_f, kcal/mol:	18.65
Dipole, Da:	3.2
IP(EA), eV:	-8.71(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-6-methylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2CCC(=N2)N

DOS

IR

Vibrations