Geometry & MOs

Info

ID:	405222
PubChem CID:	135073059
Reduced:	O3C24H38 (1)
Stoich.:	A3B24C38 (1)
Weight, g/mol:	306.219495
ΔH_f, kcal/mol:	-155.47
Dipole, Da:	3.08
IP(EA), eV:	-9.06(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2E)-2-[2-(3-methylbut-2-enyl)cyclohexylidene]ethyl]-3-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C/C=C(\C)/CC/C=C(\C)/C=C(\C)/CCC=C(C)C)C(=O)C

DOS

IR

Vibrations