Geometry & MOs

Info

ID:	1854
PubChem CID:	5205
Reduced:	NC19H19 (1)
Stoich.:	AB19C19 (1)
Weight, g/mol:	261.15175
ΔH_f, kcal/mol:	53.9
Dipole, Da:	1.64
IP(EA), eV:	-8.6(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaene

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)C3=CC=CC=C3CC4=CC=CC=C24

DOS

IR

Vibrations