Geometry & MOs

Info

ID:	150423
PubChem CID:	53790113
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	368.27153
ΔH_f, kcal/mol:	-84.99
Dipole, Da:	2.43
IP(EA), eV:	-9.59(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-pentylcyclohexyl)phenyl] octa-2,4-dienoate

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1CC[C@@](O1)(C)C=C

DOS

IR

Vibrations