Geometry & MOs

Info

ID:	388554
PubChem CID:	134989502
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-147.76
Dipole, Da:	3.9
IP(EA), eV:	-10.29(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one

Drug info:

PubChemData

Smile

CCOC(=O)CC(=C(C1CC1)C2CC2)C(=O)O

DOS

IR

Vibrations