Geometry & MOs

Info

ID:	21680
PubChem CID:	589512
Reduced:	O2N3H13C15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	267.100777
ΔH_f, kcal/mol:	52.07
Dipole, Da:	3.31
IP(EA), eV:	-8.96(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxy-6-phenyl-3H-1,2,4-triazin-3-yl)phenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN(C(N=N2)C3=CC=C(C=C3)O)O

DOS

IR

Vibrations