Geometry & MOs

Info

ID:	47839
PubChem CID:	10535560
Reduced:	NC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	187.110947
ΔH_f, kcal/mol:	37.17
Dipole, Da:	4.66
IP(EA), eV:	-8.64(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2,4,6-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8-tetraene

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=CC=CC=C2C#N

DOS

IR

Vibrations