Geometry & MOs

Info

ID:	424092
PubChem CID:	135121300
Reduced:	O2N7C24H29 (1)
Stoich.:	A2B7C24D29 (1)
Weight, g/mol:	410.162187
ΔH_f, kcal/mol:	33.35
Dipole, Da:	3.14
IP(EA), eV:	-8.54(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-chloro-5-methylpyridin-3-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

C1CNNC1C2=NC=CC3=C2N=C(C=C3C4=CN=C(C=C4)N5CCOCC5)N6CCOCC6

DOS

IR

Vibrations