Geometry & MOs

Info

ID:	401434
PubChem CID:	135051269
Reduced:	IO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	404.04846
ΔH_f, kcal/mol:	-93.0
Dipole, Da:	3.53
IP(EA), eV:	-8.57(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-iodo-4,5-dimethoxyphenyl)hex-5-enyl acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(CCCC=C)OC(=O)C2=CC=CC=C2)I)OC

DOS

IR

Vibrations