Geometry & MOs

Info

ID:	292866
PubChem CID:	117362123
Reduced:	F2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	244.091101
ΔH_f, kcal/mol:	-185.04
Dipole, Da:	4.06
IP(EA), eV:	-8.95(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(difluoromethyl)-2,5-dimethoxyphenyl]propanal

Drug info:

PubChemData

Smile

CC(CC=O)C1=C(C(=CC(=C1F)F)OC)OC

DOS

IR

Vibrations