Geometry & MOs

Info

ID:	216484
PubChem CID:	85086301
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	272.04119
ΔH_f, kcal/mol:	-72.49
Dipole, Da:	4.71
IP(EA), eV:	-8.8(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-bromopentylidene)-4-methoxy-4-methylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)C(CC1CCCCC1=COC)C2=CC=CC=C2

DOS

IR

Vibrations