Geometry & MOs

Info

ID:	148787
PubChem CID:	53788456
Reduced:	O7C16H20 (1)
Stoich.:	A7B16C20 (1)
Weight, g/mol:	316.160935
ΔH_f, kcal/mol:	-251.96
Dipole, Da:	4.34
IP(EA), eV:	-8.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=C(CC(=O)OC)C(=O)OC

DOS

IR

Vibrations