Geometry & MOs

Info

ID:	378364
PubChem CID:	134224443
Reduced:	F4N5O5H27C31 (1)
Stoich.:	A4B5C5D27E31 (1)
Weight, g/mol:	154.053098
ΔH_f, kcal/mol:	-328.37
Dipole, Da:	5.72
IP(EA), eV:	-9.02(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyridin-3-yl-5,6-didehydropyridine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C(=O)NC3=CN=C(C=C3)C4=CC=CC=C4F)OC(F)(F)F

DOS

IR

Vibrations