Geometry & MOs

Info

ID:	132765
PubChem CID:	51416506
Reduced:	ON6H15C19 (1)
Stoich.:	AB6C15D19 (1)
Weight, g/mol:	245.103851
ΔH_f, kcal/mol:	145.54
Dipole, Da:	7.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.619740
Charge, e:	-1

Chem-info

IUPAC name:

2-(3,4-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)ethanimidate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N=NC2=C3N=C(C=C(N3N=C2N)C4=CC=CC=C4)[O-]

DOS

IR

Vibrations