Geometry & MOs

Info

ID:	289718
PubChem CID:	104369633
Reduced:	ClN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	306.07712
ΔH_f, kcal/mol:	-88.71
Dipole, Da:	3.12
IP(EA), eV:	-9.11(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-(3-methylphenyl)-3-(oxolan-3-yl)-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCC1=C(NC(=O)N(C1=O)CCC2=CC=CC=C2C)Cl

DOS

IR

Vibrations