Geometry & MOs

Info

ID:	22130
PubChem CID:	596062
Reduced:	OC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	164.08373
ΔH_f, kcal/mol:	-77.43
Dipole, Da:	5.3
IP(EA), eV:	-9.49(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5,6,7,8-tetrahydrochromen-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(O1)CCCC2

DOS

IR

Vibrations