Geometry & MOs

Info

ID:	289728
PubChem CID:	104370581
Reduced:	ClN2O2C9H13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	206.025833
ΔH_f, kcal/mol:	-107.55
Dipole, Da:	1.23
IP(EA), eV:	-9.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-fluoro-3-propan-2-yl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(NC(=O)N(C1=O)C(C)(C)C)Cl

DOS

IR

Vibrations