Geometry & MOs

Info

ID:	276688
PubChem CID:	103824709
Reduced:	BrClON4H10C11 (1)
Stoich.:	ABCD4E10F11 (1)
Weight, g/mol:	327.97265
ΔH_f, kcal/mol:	28.16
Dipole, Da:	3.83
IP(EA), eV:	-9.33(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Br)Cl)N2C=NC=N2

DOS

IR

Vibrations