Geometry & MOs

Info

ID:	193677
PubChem CID:	78422756
Reduced:	NO3C21H28 (1)
Stoich.:	AB3C21D28 (1)
Weight, g/mol:	289.104913
ΔH_f, kcal/mol:	-71.0
Dipole, Da:	1.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.244539
Charge, e:	-1

Chem-info

IUPAC name:

2-(1,3-dioxoisoindol-2-yl)-N-(tetrazolidin-5-yl)propanimidate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC[NH2+]2)OCC)OCC

DOS

IR

Vibrations