Geometry & MOs

Info

ID:	21776
PubChem CID:	589870
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-5.16
Dipole, Da:	1.48
IP(EA), eV:	-9.2(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbaldehyde

Drug info:

PubChemData

Smile

C1C2CN(CC1C3=CC=CC(=O)N3C2)C=O

DOS

IR

Vibrations