Geometry & MOs

Info

ID:	323736
PubChem CID:	126675917
Reduced:	SN3O5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-189.5
Dipole, Da:	5.81
IP(EA), eV:	-8.45(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2-methylphenyl)ethynyl]-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@@](C)(CCN1CC2=CC(=CN2C1=O)N)S(=O)(=O)C

DOS

IR

Vibrations