Geometry & MOs

Info

ID:	166562
PubChem CID:	74710653
Reduced:	FN3O3H15C18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	355.165782
ΔH_f, kcal/mol:	-75.79
Dipole, Da:	3.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770746
Charge, e:	1

Chem-info

IUPAC name:

(9-methyl-4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=[N+](C2=O)CC(=O)NCCC3=CC(=CC=C3)F

DOS

IR

Vibrations