Geometry & MOs

Info

ID:	230318
PubChem CID:	87570639
Reduced:	OSC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	320.104859
ΔH_f, kcal/mol:	-84.01
Dipole, Da:	2.48
IP(EA), eV:	-8.94(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bicyclo[3.1.0]hexa-1(6),2,4-triene;7-ethynyl-4,5-dimethoxy-3-methylchromen-2-one

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=CC=C(C=C1)SSC

DOS

IR

Vibrations