Geometry & MOs

Info

ID:	289549
PubChem CID:	104359477
Reduced:	ClBr2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	392.9066
ΔH_f, kcal/mol:	61.67
Dipole, Da:	6.71
IP(EA), eV:	-9.8(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-chlorophenyl)-5-(bromomethyl)-4-propyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCN1C(=NN=C1C2=C(C(=CC=C2)Br)Cl)CBr

DOS

IR

Vibrations