Geometry & MOs

Info

ID:	123362
PubChem CID:	50844150
Reduced:	SN2O4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	420.168522
ΔH_f, kcal/mol:	-80.41
Dipole, Da:	8.22
IP(EA), eV:	-10.14(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,5-dimethoxybenzoyl)-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NOC(=N2)COC

DOS

IR

Vibrations