Geometry & MOs

Info

ID:	194749
PubChem CID:	78585101
Reduced:	OCl2C19H20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	390.146524
ΔH_f, kcal/mol:	-41.7
Dipole, Da:	3.74
IP(EA), eV:	-9.52(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5H-pyrimidin-3-ium-5-yl)-2-oxoethyl] 3-(2-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)C=CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations