Geometry & MOs

Info

ID:	391232
PubChem CID:	135003696
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	252.091708
ΔH_f, kcal/mol:	-28.64
Dipole, Da:	3.2
IP(EA), eV:	-9.65(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]-3-methoxybenzene

Drug info:

PubChemData

Smile

C[C@@H](/C=C/C(C)(C)C)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations