Geometry & MOs

Info

ID:	171838
PubChem CID:	75432673
Reduced:	IN3O3C8H10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	321.112484
ΔH_f, kcal/mol:	-104.52
Dipole, Da:	6.18
IP(EA), eV:	-9.57(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide

Drug info:

PubChemData

Smile

CN1C=C(C(=O)N(C1=O)CCC(=O)N)I

DOS

IR

Vibrations