Geometry & MOs

Info

ID:	319137
PubChem CID:	126655089
Reduced:	BrNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	294.097998
ΔH_f, kcal/mol:	-37.43
Dipole, Da:	0.59
IP(EA), eV:	-9.11(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-[2-(trifluoromethyl)pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC12CC(C(CC1CCN2)Br)OCC3=CC=CC=C3

DOS

IR

Vibrations