Geometry & MOs

Info

ID:	380149
PubChem CID:	134965172
Reduced:	NOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	170.057909
ΔH_f, kcal/mol:	-1.07
Dipole, Da:	3.92
IP(EA), eV:	-8.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aR)-8a-methyl-4a,5-dihydro-1,2,4-benzotrioxin-6-one

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C3=C(CCC3)C=C2C=C1)C=O

DOS

IR

Vibrations