Geometry & MOs

Info

ID:	182922
PubChem CID:	76955059
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	340.203845
ΔH_f, kcal/mol:	-140.91
Dipole, Da:	1.95
IP(EA), eV:	-9.07(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methyl-6-oxocyclohex-2-en-1-ylidene)-4-phenylbutyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations