Geometry & MOs

Info

ID:	224233
PubChem CID:	85340524
Reduced:	OC15H24 (1)
Stoich.:	AB15C24 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-68.82
Dipole, Da:	4.25
IP(EA), eV:	-9.49(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-(5-methylhex-5-en-2-yl)cyclohept-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)C1CCC2(CC=CC(=O)C2(C1)C)C

DOS

IR

Vibrations