Geometry & MOs

Info

ID:	266848
PubChem CID:	103579734
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	338.02416
ΔH_f, kcal/mol:	-14.2
Dipole, Da:	1.88
IP(EA), eV:	-8.77(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC(=O)NCCC#N

DOS

IR

Vibrations