Geometry & MOs

Info

ID:	47844
PubChem CID:	10535600
Reduced:	ClNO2C8H10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	188.068473
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	1.75
IP(EA), eV:	-9.37(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aS)-3,3-dimethyl-4a,6,7,8a-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxin-2-one

Drug info:

PubChemData

Smile

CCC(C1=CC=CO1)/C(=N\O)/Cl

DOS

IR

Vibrations