Geometry & MOs

Info

ID:	395825
PubChem CID:	135026651
Reduced:	N3O5H13C14 (1)
Stoich.:	A3B5C13D14 (1)
Weight, g/mol:	301.06987
ΔH_f, kcal/mol:	-94.19
Dipole, Da:	5.24
IP(EA), eV:	-9.71(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-nitrospiro[1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine-7,3'-2-benzofuran]-1',6-dione

Drug info:

PubChemData

Smile

C1CNC2=C(C3(C4=CC=CC=C4C(=O)C3(N2C1)O)O)[N+](=O)[O-]

DOS

IR

Vibrations