Geometry & MOs

Info

ID:	389574
PubChem CID:	134993790
Reduced:	AlC17H27 (1)
Stoich.:	AB17C27 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-34.44
Dipole, Da:	0.91
IP(EA), eV:	-8.7(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(Z)-hex-1-enyl]benzoate

Drug info:

PubChemData

Smile

C/C=C(\C1=CC=CC=C1)/[Al](CC(C)C)CC(C)C

DOS

IR

Vibrations