Geometry & MOs

Info

ID:	147919
PubChem CID:	53787579
Reduced:	O5C13H13 (2)
Stoich.:	A5B13C13 (2)
Weight, g/mol:	266.107357
ΔH_f, kcal/mol:	-356.09
Dipole, Da:	6.18
IP(EA), eV:	-8.79(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chloro-4-methoxy-2,6-dimethylphenyl)-3-methylpent-3-enal

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC(=O)OCCOC2=CC(=C(C=C2)C(C3=CC(=C(C=C3)O)O)C(=O)O)OC)O

DOS

IR

Vibrations