Geometry & MOs

Info

ID:	22035
PubChem CID:	595831
Reduced:	ON6C14H14 (1)
Stoich.:	AB6C14D14 (1)
Weight, g/mol:	282.122909
ΔH_f, kcal/mol:	112.13
Dipole, Da:	5.95
IP(EA), eV:	-8.96(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]iminomethyl]phenol

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NN=CN2N=CC3=CC=CC=C3O)C

DOS

IR

Vibrations