Geometry & MOs

Info

ID:	289546
PubChem CID:	104359473
Reduced:	BrCl2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	390.89095
ΔH_f, kcal/mol:	43.31
Dipole, Da:	7.52
IP(EA), eV:	-9.73(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN=C1C2=C(C(=CC=C2)Br)Cl)CCl

DOS

IR

Vibrations