Geometry & MOs

Info

ID:	543
PubChem CID:	2963
Reduced:	N3H15C16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	249.126598
ΔH_f, kcal/mol:	86.84
Dipole, Da:	8.98
IP(EA), eV:	-8.16(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)propanedinitrile

Drug info:

PubChemData

Smile

C1CC2=CC(=CC3=C2N(C1)CCC3)C=C(C#N)C#N

DOS

IR

Vibrations