Geometry & MOs

Info

ID:	31168
PubChem CID:	854939
Reduced:	O5H12C16 (1)
Stoich.:	A5B12C16 (1)
Weight, g/mol:	175.074562
ΔH_f, kcal/mol:	-130.06
Dipole, Da:	4.63
IP(EA), eV:	-8.52(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)O)C2(C(=O)C3=CC=CC=C3C2=O)O

DOS

IR

Vibrations