Geometry & MOs

Info

ID:	270852
PubChem CID:	103638431
Reduced:	OCl2N2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-48.86
Dipole, Da:	5.97
IP(EA), eV:	-9.6(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-azaspiro[5.5]undecan-3-yl-(2,4-dihydroxyphenyl)methanone

Drug info:

PubChemData

Smile

C1CCC2(CC1)CCN(CC2)C(=O)C3=C(N=C(C=C3)Cl)Cl

DOS

IR

Vibrations