Geometry & MOs

Info

ID:	166690
PubChem CID:	74723229
Reduced:	N2O4C17H21 (1)
Stoich.:	A2B4C17D21 (1)
Weight, g/mol:	338.065607
ΔH_f, kcal/mol:	-127.41
Dipole, Da:	7.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757292
Charge, e:	-1

Chem-info

IUPAC name:

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(tetrazolidin-5-yl)ethanimidate

Drug info:

PubChemData

Smile

C1C[NH+](CCC12OCCO2)C3CC(=O)N(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations