Geometry & MOs

Info

ID:	384246
PubChem CID:	134976614
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	260.120115
ΔH_f, kcal/mol:	-119.32
Dipole, Da:	3.29
IP(EA), eV:	-9.4(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis(2-methylphenyl)cyclopenta-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1(CCC2=CC[C@@H]3C(=O)C=C[C@@]3(C2C1)C(=O)OC)C

DOS

IR

Vibrations