Geometry & MOs

Info

ID:	289542
PubChem CID:	104359468
Reduced:	BrCl2N3H10C15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	362.95408
ΔH_f, kcal/mol:	91.72
Dipole, Da:	5.1
IP(EA), eV:	-9.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-chlorophenyl)-5-(chloromethyl)-4-(2-methoxyethyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=C2C3=C(C(=CC=C3)Br)Cl)CCl

DOS

IR

Vibrations