Geometry & MOs

Info

ID:	15446
PubChem CID:	442157
Reduced:	N2O4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	-116.71
Dipole, Da:	7.04
IP(EA), eV:	-8.81(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-12-[(1R)-1-hydroxyethyl]-3-methoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one

Drug info:

PubChemData

Smile

C[C@H](C1=C2C=C3C4=CC(=C(C=C4CCN3C(=O)C2=CN=C1)OC)O)O

DOS

IR

Vibrations