Geometry & MOs

Info

ID:	332
PubChem CID:	2604
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	268.121178
ΔH_f, kcal/mol:	-27.14
Dipole, Da:	7.12
IP(EA), eV:	-8.18(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-2-cyanoprop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations