Geometry & MOs

Info

ID:	186470
PubChem CID:	77438526
Reduced:	ClN2O2H17C23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	583.17942
ΔH_f, kcal/mol:	9.56
Dipole, Da:	3.87
IP(EA), eV:	-9.46(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 8-[6-[5-bromo-2-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=CC(=O)C2=CN=CC=C2)C3C4=C(C=CC=C4Cl)NC3=O

DOS

IR

Vibrations