Geometry & MOs

Info

ID:	6565
PubChem CID:	68896
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-26.46
Dipole, Da:	4.39
IP(EA), eV:	-8.23(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-ethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaene-2-carboxylate

Drug info:

PubChemData

Smile

CCN1CCC2=C3C1CC=C(N3C4=CC=CC=C24)C(=O)OC

DOS

IR

Vibrations