Geometry & MOs

Info

ID:	398060
PubChem CID:	135031586
Reduced:	OH22C24 (1)
Stoich.:	AB22C24 (1)
Weight, g/mol:	374.044496
ΔH_f, kcal/mol:	37.64
Dipole, Da:	3.77
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-bis(butylsulfanyl)-3,6-dichloro-2,7-naphthyridine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CC(=O)C2=CC=CC=C2)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations