Geometry & MOs

Info

ID:	429413
PubChem CID:	135169445
Reduced:	SO2N6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	192.045426
ΔH_f, kcal/mol:	41.47
Dipole, Da:	4.38
IP(EA), eV:	-8.01(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-3-ethenyl-4a,8a-dihydro-1,7-naphthyridine

Drug info:

PubChemData

Smile

CN=C/C(=C\N)/NC1=NC=CC(=C1)COC2=CC(=C3C(=C2)SC(=N3)N)OC

DOS

IR

Vibrations