Geometry & MOs

Info

ID:	173664
PubChem CID:	75667209
Reduced:	NO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	473.171262
ΔH_f, kcal/mol:	-138.29
Dipole, Da:	5.57
IP(EA), eV:	-8.48(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[[4-[3-(2,4-dimethylphenoxy)propoxy]phenyl]methylidene]-1-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-olate

Drug info:

PubChemData

Smile

CC=CC1=C(C(=CC(=C1)C(=O)NCC(C)(C)N2CCOCC2)OC)OC

DOS

IR

Vibrations