Geometry & MOs

Info

ID:	298744
PubChem CID:	117655349
Reduced:	ClHIC3 (2)
Stoich.:	ABCD3 (2)
Weight, g/mol:	341.171497
ΔH_f, kcal/mol:	49.9
Dipole, Da:	1.92
IP(EA), eV:	-9.67(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1I)Cl)Cl)I

DOS

IR

Vibrations