Geometry & MOs

Info

ID:	285054
PubChem CID:	104093752
Reduced:	BrCl2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	312.99814
ΔH_f, kcal/mol:	59.15
Dipole, Da:	2.95
IP(EA), eV:	-9.78(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-methylphenyl)-4-(3-chloropropyl)triazole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)N2C=C(N=N2)CCCCl)Cl

DOS

IR

Vibrations