Geometry & MOs

Info

ID:	277389
PubChem CID:	103828194
Reduced:	BrClON2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	255.11201
ΔH_f, kcal/mol:	37.57
Dipole, Da:	0.86
IP(EA), eV:	-9.63(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C#N)C(=O)C2=C(C=CC(=C2)Cl)Br

DOS

IR

Vibrations