Geometry & MOs

Info

ID:	424094
PubChem CID:	135121303
Reduced:	ClO2N6C21H23 (1)
Stoich.:	AB2C6D21E23 (1)
Weight, g/mol:	514.269239
ΔH_f, kcal/mol:	23.25
Dipole, Da:	7.15
IP(EA), eV:	-8.44(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=N1)Cl)C2=CC(=NC3=C2C=CN=C3C4CCNN4)N5CCOCC5

DOS

IR

Vibrations