Geometry & MOs

Info

ID:	445015
PubChem CID:	135264271
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	227.105862
ΔH_f, kcal/mol:	71.2
Dipole, Da:	4.05
IP(EA), eV:	-8.62(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethyl-7-oxo-5,6-diazatricyclo[7.3.0.02,6]dodeca-2,4,8-triene-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=C(N=C2C(=CNN2C1=O)C#N)C3=CN(C(=C3)C4CC4)C(C)C

DOS

IR

Vibrations