Geometry & MOs

Info

ID:	289719
PubChem CID:	104369703
Reduced:	ClN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	296.072784
ΔH_f, kcal/mol:	-106.5
Dipole, Da:	4.53
IP(EA), eV:	-9.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[2-(4-fluoro-2-methylphenyl)ethyl]-5-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(NC(=O)N(C2=O)C3CCOC3)Cl

DOS

IR

Vibrations