Geometry & MOs

Info

ID:	388644
PubChem CID:	134989729
Reduced:	IOC8H11 (1)
Stoich.:	ABC8D11 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-32.25
Dipole, Da:	4.63
IP(EA), eV:	-8.53(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-6-(3-methylbut-2-enyl)chromen-2-one

Drug info:

PubChemData

Smile

CC1=CC(=[O+]C(=C1)C)C.[I-]

DOS

IR

Vibrations