Geometry & MOs

Info

ID:	395388
PubChem CID:	135025348
Reduced:	O2C19H24 (1)
Stoich.:	A2B19C24 (1)
Weight, g/mol:	200.08373
ΔH_f, kcal/mol:	-68.63
Dipole, Da:	0.81
IP(EA), eV:	-9.74(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3,3a-dihydro-2H-cyclopenta[b]chromen-9-one

Drug info:

PubChemData

Smile

CC(=O)C(C/C=C/C1CCCCC1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations