Geometry & MOs

Info

ID:	279427
PubChem CID:	103843896
Reduced:	BrINO2C14H19 (1)
Stoich.:	ABCD2E14F19 (1)
Weight, g/mol:	303.144613
ΔH_f, kcal/mol:	-70.43
Dipole, Da:	3.14
IP(EA), eV:	-9.71(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=C(C=CC(=C1)Br)I)CO

DOS

IR

Vibrations