Geometry & MOs

Info

ID:	6470
PubChem CID:	68702
Reduced:	ON4H14C15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	266.116761
ΔH_f, kcal/mol:	60.47
Dipole, Da:	5.53
IP(EA), eV:	-9.36(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]methanol

Drug info:

PubChemData

Smile

CN1C(=NC(=N1)C2=CN=CC=C2)C3=CC=CC=C3CO

DOS

IR

Vibrations