Geometry & MOs

Info

ID:	293646
PubChem CID:	117395088
Reduced:	ClFO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-125.52
Dipole, Da:	4.95
IP(EA), eV:	-9.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-3,6-dimethoxy-4-methylphenyl)butanal

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C=C1)C2(CC2)C(=O)O)Cl)F

DOS

IR

Vibrations