Geometry & MOs

Info

ID:	43964
PubChem CID:	10322477
Reduced:	N6O7C21H22 (1)
Stoich.:	A6B7C21D22 (1)
Weight, g/mol:	470.170253
ΔH_f, kcal/mol:	-149.87
Dipole, Da:	8.02
IP(EA), eV:	-9.83(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(2-pyridin-4-yl-1,3-dihydroisoindol-5-yl)oxy]pyridin-3-yl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C4C(=O)NC(=O)N4)[N+](=O)[O-]

DOS

IR

Vibrations