Geometry & MOs

Info

ID:	285298
PubChem CID:	104098977
Reduced:	O3N4C12H14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	252.077789
ΔH_f, kcal/mol:	-23.68
Dipole, Da:	5.82
IP(EA), eV:	-8.74(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[[2-(triazol-1-yl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)CNCCN3C=CN=N3)O

DOS

IR

Vibrations