Geometry & MOs

Info

ID:	289535
PubChem CID:	104359460
Reduced:	BrClON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	343.0087
ΔH_f, kcal/mol:	23.96
Dipole, Da:	4.57
IP(EA), eV:	-9.81(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations