Geometry & MOs

Info

ID:	193926
PubChem CID:	78456814
Reduced:	NSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	353.136213
ΔH_f, kcal/mol:	-146.05
Dipole, Da:	9.79
IP(EA), eV:	-9.08(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC1(C([NH2+]C(S1)C2=C(C=CC(=C2)OC)OC)C(=O)[O-])C

DOS

IR

Vibrations