Geometry & MOs

Info

ID:	448617
PubChem CID:	135292268
Reduced:	ON2C7H10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	457.264174
ΔH_f, kcal/mol:	-7.64
Dipole, Da:	2.36
IP(EA), eV:	-8.58(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-2-(3,5-dicyclopropyl-1,4-diazocan-1-yl)-5-(2-ethenyl-3-fluoropyridin-4-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CNC1=CC(=C)N(C1=O)C

DOS

IR

Vibrations