Geometry & MOs

Info

ID:	52186
PubChem CID:	12014986
Reduced:	N2O7C40H40 (1)
Stoich.:	A2B7C40D40 (1)
Weight, g/mol:	341.126323
ΔH_f, kcal/mol:	-84.3
Dipole, Da:	10.57
IP(EA), eV:	-8.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 3-oxa-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-4,6,8(15),9,11-pentaene-1,12-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C[N+](=C2CC3=CC=CC=C3OCCOCCOCCOCCOC4=CC=CC=C4CC5=[N+](C=CC6=CC=CC=C65)[O-])[O-]

DOS

IR

Vibrations