Geometry & MOs

Info

ID:	293835
PubChem CID:	117404389
Reduced:	N2O4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	260.102414
ΔH_f, kcal/mol:	-91.19
Dipole, Da:	3.27
IP(EA), eV:	-8.92(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]butanal

Drug info:

PubChemData

Smile

CCC1=C(C=CC2=C1OCO2)C3=NNC(=C3)C(=O)O

DOS

IR

Vibrations