Geometry & MOs

Info

ID:	25948
PubChem CID:	634542
Reduced:	NOH12C14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	451.090331
ΔH_f, kcal/mol:	66.71
Dipole, Da:	3.46
IP(EA), eV:	-8.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetramethyl 4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene-2,6,7,8-tetracarboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=CC3=CC=CC=C3)OC)N=CC4=CC=CC=C4

DOS

IR

Vibrations