Geometry & MOs

Info

ID:	125529
PubChem CID:	50927868
Reduced:	N4O5C20H26 (1)
Stoich.:	A4B5C20D26 (1)
Weight, g/mol:	301.117489
ΔH_f, kcal/mol:	-152.18
Dipole, Da:	6.43
IP(EA), eV:	-8.86(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-(4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=C(N=N2)C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations