Geometry & MOs

Info

ID:	424095
PubChem CID:	135121304
Reduced:	O3N6C29H34 (1)
Stoich.:	A3B6C29D34 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	-37.78
Dipole, Da:	9.22
IP(EA), eV:	-8.39(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=C2)C3=CC(=NC4=C3C=CN=C4C5CCNN5)N6CCOCC6)C(=O)OC(C)(C)C

DOS

IR

Vibrations