Geometry & MOs

Info

ID:	13134
PubChem CID:	221874
Reduced:	ClN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	386.103335
ΔH_f, kcal/mol:	-108.88
Dipole, Da:	1.69
IP(EA), eV:	-9.43(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-chloro-15,16-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1C2C3=C(C=C(C=C3)Cl)C(N1C(=O)OCC)C4=CC=CC=C24

DOS

IR

Vibrations