Geometry & MOs

Info

ID:	289717
PubChem CID:	104369512
Reduced:	ClFN2O2C14H14 (1)
Stoich.:	ABC2D2E14F14 (1)
Weight, g/mol:	306.113506
ΔH_f, kcal/mol:	-106.19
Dipole, Da:	2.39
IP(EA), eV:	-9.64(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1N2C(=O)C(=C(NC2=O)Cl)F

DOS

IR

Vibrations