Geometry & MOs

Info

ID:	179680
PubChem CID:	76518785
Reduced:	PO13C31H58 (1)
Stoich.:	AB13C31D58 (1)
Weight, g/mol:	242.114081
ΔH_f, kcal/mol:	-696.81
Dipole, Da:	2.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766686
Charge, e:	-1

Chem-info

IUPAC name:

N-(2,4-dioxo-1,3-diazinan-5-yl)-N-pentylcarbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCC

DOS

IR

Vibrations