Geometry & MOs

Info

ID:	398155
PubChem CID:	135032038
Reduced:	NO3H13C14 (3)
Stoich.:	AB3C13D14 (3)
Weight, g/mol:	431.102346
ΔH_f, kcal/mol:	-150.63
Dipole, Da:	3.92
IP(EA), eV:	-8.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1,8-bis(butylsulfanyl)-3,6-dichloro-2,7-naphthyridin-4-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1COC2=C(C=CC=C2OC)C3=CN=CO3)C)COC4=C(C=CC=C4OC)C5=CN=CO5)C)COC6=C(C=CC=C6OC)C7=CN=CO7

DOS

IR

Vibrations