Geometry & MOs

Info

ID:	58449
PubChem CID:	24701835
Reduced:	BrClN2H6C11 (1)
Stoich.:	ABC2D6E11 (1)
Weight, g/mol:	252.027725
ΔH_f, kcal/mol:	70.26
Dipole, Da:	3.41
IP(EA), eV:	-9.71(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-chloro-N-(2,2,2-trifluoroethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C(=CN=C12)C#N)Cl)Br

DOS

IR

Vibrations