Geometry & MOs

Info

ID:	22963
PubChem CID:	600142
Reduced:	OC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	250.19328
ΔH_f, kcal/mol:	-116.22
Dipole, Da:	2.02
IP(EA), eV:	-9.07(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethyl-6-methylidenecyclohexylidene)pentan-2-yl acetate

Drug info:

PubChemData

Smile

CC(CC(=C1C(=C)CCCC1(C)C)C)OC(=O)C

DOS

IR

Vibrations