Geometry & MOs

Info

ID:	289534
PubChem CID:	104359459
Reduced:	BrClON3C11H11 (1)
Stoich.:	ABCD3E11F11 (1)
Weight, g/mol:	300.96175
ΔH_f, kcal/mol:	18.19
Dipole, Da:	5.85
IP(EA), eV:	-9.87(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1C2=C(C(=CC=C2)Br)Cl)CO

DOS

IR

Vibrations