Geometry & MOs

Info

ID:	21859
PubChem CID:	592781
Reduced:	N4O5C14H18 (1)
Stoich.:	A4B5C14D18 (1)
Weight, g/mol:	322.12772
ΔH_f, kcal/mol:	-191.67
Dipole, Da:	7.36
IP(EA), eV:	-9.52(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[2-[2-(3-methyl-2,6-dioxopyrimidin-1-yl)ethoxy]ethyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C=CC(=O)N(C1=O)CCOCCN2C(=O)C=CN(C2=O)C

DOS

IR

Vibrations