Geometry & MOs

Info

ID:	285265
PubChem CID:	104098883
Reduced:	F2N3O3H7C12 (1)
Stoich.:	A2B3C3D7E12 (1)
Weight, g/mol:	252.077789
ΔH_f, kcal/mol:	-68.44
Dipole, Da:	6.88
IP(EA), eV:	-9.86(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C(=O)NC2=C(C=NC=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations