Geometry & MOs

Info

ID:	425529
PubChem CID:	135126633
Reduced:	BrClN3C6H7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	350.087827
ΔH_f, kcal/mol:	20.05
Dipole, Da:	3.1
IP(EA), eV:	-10.0(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[[2-methoxy-4-(trifluoromethoxy)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

C1=CN=CC(=C1C(=N)N)Br.Cl

DOS

IR

Vibrations