Geometry & MOs

Info

ID:	166787
PubChem CID:	74733803
Reduced:	FS2N3O5H12C20 (1)
Stoich.:	AB2C3D5E12F20 (1)
Weight, g/mol:	366.181767
ΔH_f, kcal/mol:	-107.03
Dipole, Da:	8.87
IP(EA), eV:	-8.67(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OC2=C(C(=O)[NH+]3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC(=O)[O-])F

DOS

IR

Vibrations