Geometry & MOs

Info

ID:	20844
PubChem CID:	586099
Reduced:	NC10H13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	294.209599
ΔH_f, kcal/mol:	43.39
Dipole, Da:	2.73
IP(EA), eV:	-8.47(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-prop-2-enyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-triene

Drug info:

PubChemData

Smile

C=CCC12CCCN3C1C4(CC3)C(CC2)NC5=CC=CC=C45

DOS

IR

Vibrations