Geometry & MOs

Info

ID:	232283
PubChem CID:	87575877
Reduced:	F2O2N3H19C22 (1)
Stoich.:	A2B2C3D19E22 (1)
Weight, g/mol:	231.050713
ΔH_f, kcal/mol:	-98.2
Dipole, Da:	4.34
IP(EA), eV:	-9.52(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(2,3,3-trifluoropropanoyl)benzaldehyde

Drug info:

PubChemData

Smile

C/C(=C/1\C(=O)N(C(C(=O)N1)(C)CC2=CC(=CC(=C2)F)F)C)/C3=CC=CC=C3C#N

DOS

IR

Vibrations