Geometry & MOs

Info

ID:	293648
PubChem CID:	117395134
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-129.97
Dipole, Da:	5.38
IP(EA), eV:	-8.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propanal

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1C(C)O)Cl)OCCCO2

DOS

IR

Vibrations