Geometry & MOs

Info

ID:	393532
PubChem CID:	135020905
Reduced:	ON4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	260.094963
ΔH_f, kcal/mol:	98.15
Dipole, Da:	4.94
IP(EA), eV:	-8.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,12-diazapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,15(19),16-heptaen-11-one

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)/C=C/C3=CC=CC=C3N=[N+]=[N-]

DOS

IR

Vibrations