Geometry & MOs

Info

ID:	292803
PubChem CID:	117359085
Reduced:	OF3N3H8C10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	243.0707
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	5.75
IP(EA), eV:	-10.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(4,5-difluoro-2-formylphenyl)butanoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C2=NOC(=N2)CN)F)F)CF

DOS

IR

Vibrations