Geometry & MOs

Info

ID:	45531
PubChem CID:	10514559
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-109.18
Dipole, Da:	4.24
IP(EA), eV:	-9.76(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1Z)-3-hydroxy-3-methylhepta-1,6-dienyl] benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C=O)/C=C/C(=O)OC(C)(C)C

DOS

IR

Vibrations