Geometry & MOs

Info

ID:	298928
PubChem CID:	117664395
Reduced:	O2C11H12 (2)
Stoich.:	A2B11C12 (2)
Weight, g/mol:	304.167459
ΔH_f, kcal/mol:	-120.99
Dipole, Da:	5.44
IP(EA), eV:	-9.03(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(E)-2-cyclohexylethenyl]-4,6-dimethoxybenzoate

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C(=C1O)C(=O)OC)/C=C/C2=CC=CC=C2)OC

DOS

IR

Vibrations