Geometry & MOs

Info

ID:	394114
PubChem CID:	135022363
Reduced:	OS2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	128.037448
ΔH_f, kcal/mol:	-5.92
Dipole, Da:	3.16
IP(EA), eV:	-8.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-didehydro-1,5-naphthyridine

Drug info:

PubChemData

Smile

CCCC1C(CCO1)C(SC2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations