Geometry & MOs

Info

ID:	50894
PubChem CID:	12013485
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	184.063663
ΔH_f, kcal/mol:	-54.64
Dipole, Da:	5.39
IP(EA), eV:	-9.96(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one

Drug info:

PubChemData

Smile

C1CCCC2=NC3=C(C(=CC=C3)[N+](=O)[O-])C(=C2CC1)C(=O)O

DOS

IR

Vibrations