Geometry & MOs

Info

ID:	56164
PubChem CID:	17422331
Reduced:	FN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	354.09914
ΔH_f, kcal/mol:	-114.19
Dipole, Da:	3.49
IP(EA), eV:	-8.83(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=C/C(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

DOS

IR

Vibrations