Geometry & MOs

Info

ID:	276687
PubChem CID:	103824708
Reduced:	BrClON2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	327.97265
ΔH_f, kcal/mol:	-3.7
Dipole, Da:	4.34
IP(EA), eV:	-9.31(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)C(=O)NC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations