Geometry & MOs

Info

ID:	413640
PubChem CID:	135086589
Reduced:	O4C19H20 (1)
Stoich.:	A4B19C20 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-118.89
Dipole, Da:	3.69
IP(EA), eV:	-8.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-3-methylbut-1-enyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@]12C=CC(=O)C(=C1CCC[C@@H]2OC(=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations