Geometry & MOs

Info

ID:	386653
PubChem CID:	134982441
Reduced:	OC2H2 (8)
Stoich.:	AB2C2 (8)
Weight, g/mol:	394.19328
ΔH_f, kcal/mol:	-273.03
Dipole, Da:	0.92
IP(EA), eV:	-10.22(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-benzoyl-3-(2,3-dipropylcycloprop-2-en-1-ylidene)cyclopenta-1,4-dien-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

COC(=O)/C/1=C/C=C(\C=C(/C(=C1)/C(=O)OC)\C(=O)OC)/C(=O)OC

DOS

IR

Vibrations