Geometry & MOs

Info

ID:	314012
PubChem CID:	126619561
Reduced:	ON2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	409.19026
ΔH_f, kcal/mol:	2.44
Dipole, Da:	6.9
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,4S)-5-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1CC=C(C1)C2=CC3=C(C=NC=C3)C(=O)N2

DOS

IR

Vibrations