Geometry & MOs

Info

ID:	298375
PubChem CID:	117648718
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	239.138019
ΔH_f, kcal/mol:	-174.97
Dipole, Da:	4.35
IP(EA), eV:	-9.52(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5R)-5-[(1S)-1-deuterioethyl]-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](O[C@@H]1[C@@H](CC=C)O)N2C=C(C(=O)NC2=O)C

DOS

IR

Vibrations