Geometry & MOs

Info

ID:	426303
PubChem CID:	135143300
Reduced:	NH31C42 (1)
Stoich.:	AB31C42 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	154.0
Dipole, Da:	0.88
IP(EA), eV:	-8.12(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,4E,5E)-4-ethylidene-5-hydroxy-1-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hepta-1,5-dien-3-one

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C=C(C=C2)C3=C4CCC=CC4=C(C5=CC=CC=C53)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC=C9

DOS

IR

Vibrations