Geometry & MOs

Info

ID:	289531
PubChem CID:	104359455
Reduced:	BrClON3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	328.99305
ΔH_f, kcal/mol:	56.99
Dipole, Da:	4.77
IP(EA), eV:	-9.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-bromo-2-chlorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations