Geometry & MOs

Info

ID:	417427
PubChem CID:	135093767
Reduced:	FN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-93.95
Dipole, Da:	4.66
IP(EA), eV:	-9.07(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)N2CCCCCC2)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations