Geometry & MOs

Info

ID:	289725
PubChem CID:	104370183
Reduced:	ClO2N3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	256.007326
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	2.56
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(2-thiophen-2-ylethyl)-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCC1=C(NC(=O)N(C1=O)CC2CCCN2CC)Cl

DOS

IR

Vibrations