Geometry & MOs

Info

ID:	282391
PubChem CID:	103925077
Reduced:	BrON2F3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	353.02383
ΔH_f, kcal/mol:	-158.42
Dipole, Da:	7.17
IP(EA), eV:	-10.41(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-ethoxyethyl)-N-methyl-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCC(C)(C#N)NC(=O)C1=C(C=C(C=C1)Br)C(F)(F)F

DOS

IR

Vibrations