Geometry & MOs

Info

ID:	39938
PubChem CID:	8143233
Reduced:	SN2C24H26 (1)
Stoich.:	AB2C24D26 (1)
Weight, g/mol:	248.102174
ΔH_f, kcal/mol:	59.77
Dipole, Da:	2.83
IP(EA), eV:	-8.18(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-2-methoxyphenol

Drug info:

PubChemData

Smile

CN1CC2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC5=CC=CC=C5

DOS

IR

Vibrations