Geometry & MOs

Info

ID:	16666
PubChem CID:	474600
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-156.92
Dipole, Da:	5.67
IP(EA), eV:	-9.57(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylphenoxy)-5-ethyl-1-[[5-(hydroxymethyl)cyclopenten-1-yl]methyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=C(N(C(=O)NC1=O)CC2=CCCC2CO)OC3=CC(=CC(=C3)C)C

DOS

IR

Vibrations