Geometry & MOs

Info

ID:	159563
PubChem CID:	57288460
Reduced:	ClNSO3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	149.084064
ΔH_f, kcal/mol:	-104.85
Dipole, Da:	4.8
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4a,7-dihydro-4H-pyrano[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCC1(CC2=C(C=CC(=C2)Cl)N(C1)OS(=O)O)CC

DOS

IR

Vibrations