Geometry & MOs

Info

ID:	204109
PubChem CID:	79913481
Reduced:	O3C16H28 (1)
Stoich.:	A3B16C28 (1)
Weight, g/mol:	276.118401
ΔH_f, kcal/mol:	-180.81
Dipole, Da:	2.06
IP(EA), eV:	-9.64(2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2(CC1)CC(CCO2)C(C3CCOCC3)O

DOS

IR

Vibrations