Geometry & MOs

Info

ID:	211
PubChem CID:	2318
Reduced:	NO2F3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	351.144613
ΔH_f, kcal/mol:	-210.67
Dipole, Da:	4.06
IP(EA), eV:	-9.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2

DOS

IR

Vibrations