Geometry & MOs

Info

ID:	229815
PubChem CID:	87569186
Reduced:	OSC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	331.157229
ΔH_f, kcal/mol:	-17.21
Dipole, Da:	2.03
IP(EA), eV:	-8.87(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC/C=C(\C)/C(=O)SC1=CC=CC=C1

DOS

IR

Vibrations