Geometry & MOs

Info

ID:	446512
PubChem CID:	135275566
Reduced:	OSN6C23H28 (1)
Stoich.:	ABC6D23E28 (1)
Weight, g/mol:	219.148396
ΔH_f, kcal/mol:	45.58
Dipole, Da:	2.63
IP(EA), eV:	-8.29(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-methyl-1,6,9-triazabicyclo[4.2.1]nonane-7,8-dicarbonitrile

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2=CC=CC=C21)NC(=O)C3=CN=C(S3)N4CC(=C(C4)N)C=N

DOS

IR

Vibrations