Geometry & MOs

Info

ID:	410056
PubChem CID:	135082845
Reduced:	NOH7C13 (1)
Stoich.:	ABC7D13 (1)
Weight, g/mol:	191.073499
ΔH_f, kcal/mol:	75.51
Dipole, Da:	5.28
IP(EA), eV:	-9.01(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-azatetracyclo[10.2.1.04,14.07,13]pentadeca-1,3,5,7(13),8,10,12(15)-heptaene

Drug info:

PubChemData

Smile

C1=CC2=CC=C3N2C4=C1C=CC(=O)C4=C3

DOS

IR

Vibrations