Geometry & MOs

Info

ID:	30699
PubChem CID:	841740
Reduced:	NOC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	232.096026
ΔH_f, kcal/mol:	-87.03
Dipole, Da:	0.52
IP(EA), eV:	-9.18(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,8S,9S)-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-5,12-diene-3,10-dione

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC(=CC(=N1)C)C

DOS

IR

Vibrations