Geometry & MOs

Info

ID:	225784
PubChem CID:	87226081
Reduced:	N2O5C34H38 (1)
Stoich.:	A2B5C34D38 (1)
Weight, g/mol:	183.068414
ΔH_f, kcal/mol:	-103.77
Dipole, Da:	6.4
IP(EA), eV:	-8.34(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-azatricyclo[7.3.1.02,7]trideca-1(12),2(7),3,8,10-pentaen-5-one

Drug info:

PubChemData

Smile

CCN(C1CCCC=C1)C(=O)/C(=C/C2=CC=C(C=C2)C(=O)NOC3CCCCO3)/COC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations