Geometry & MOs

Info

ID:	300261
PubChem CID:	121270034
Reduced:	Cl2O2N4H12C15 (1)
Stoich.:	A2B2C4D12E15 (1)
Weight, g/mol:	473.217538
ΔH_f, kcal/mol:	48.87
Dipole, Da:	10.11
IP(EA), eV:	-8.98(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-7,7-dimethyl-6-[5-[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridin-3-yl]pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=C(C=C2N1CC3=CC=C(C=C3)N)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations