Geometry & MOs

Info

ID:	327683
PubChem CID:	126690737
Reduced:	ClC6N6H7 (1)
Stoich.:	AB6C6D7 (1)
Weight, g/mol:	264.027003
ΔH_f, kcal/mol:	106.26
Dipole, Da:	1.5
IP(EA), eV:	-9.55(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-oxo-2-propanoyloxy-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-triene-9-carboxylate

Drug info:

PubChemData

Smile

C1=CN=C(N=C1Cl)NCCN=[N+]=[N-]

DOS

IR

Vibrations