Geometry & MOs

Info

ID:	232284
PubChem CID:	87575878
Reduced:	NO2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	231.050713
ΔH_f, kcal/mol:	-195.38
Dipole, Da:	1.68
IP(EA), eV:	-9.19(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(=O)C(C(F)F)F)N)C=O

DOS

IR

Vibrations