Geometry & MOs

Info

ID:	232281
PubChem CID:	87575874
Reduced:	NO2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	231.050713
ΔH_f, kcal/mol:	-192.7
Dipole, Da:	4.32
IP(EA), eV:	-9.54(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-N-(3-formylphenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C(CF)(F)F)C=O

DOS

IR

Vibrations