Geometry & MOs

Info

ID:	43963
PubChem CID:	10322472
Reduced:	ION2C23H23 (1)
Stoich.:	ABC2D23E23 (1)
Weight, g/mol:	470.154997
ΔH_f, kcal/mol:	63.6
Dipole, Da:	14.54
IP(EA), eV:	-7.28(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[6-[4-(2,5-dioxoimidazolidin-4-yl)phenoxy]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[N+](=C1C(C3=CC=CC=C3)OCC4=CC=CC=C4)C.[I-]

DOS

IR

Vibrations