Geometry & MOs

Info

ID:	424090
PubChem CID:	135121296
Reduced:	ClON6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	530.264154
ΔH_f, kcal/mol:	69.44
Dipole, Da:	4.62
IP(EA), eV:	-8.63(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-methoxy-2-(2-morpholin-4-yl-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl)indole-1-carboxylate

Drug info:

PubChemData

Smile

C1CNNC1C2=NC=CC3=C2N=C(C=C3C4=C(C=NC=C4)Cl)N5CCOCC5

DOS

IR

Vibrations