Geometry & MOs

Info

ID:	14867
PubChem CID:	423104
Reduced:	ClN2O6C18H25 (1)
Stoich.:	AB2C6D18E25 (1)
Weight, g/mol:	400.140114
ΔH_f, kcal/mol:	-130.07
Dipole, Da:	2.22
IP(EA), eV:	-8.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5,11(15)-tetraen-16-imine;trihydroxy(oxo)-lambda5-chlorane

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3CC(=N)C4=C(N3CC2)CCC4)OC.OCl(=O)(O)O

DOS

IR

Vibrations