Geometry & MOs

Info

ID:	424096
PubChem CID:	135121306
Reduced:	ON6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	58.12
Dipole, Da:	8.0
IP(EA), eV:	-8.45(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C3=CC(=NC4=C3C=CN=C4C5CCNN5)N6CCOCC6

DOS

IR

Vibrations