Geometry & MOs

Info

ID:	191741
PubChem CID:	78183144
Reduced:	N5O5C10H14 (1)
Stoich.:	A5B5C10D14 (1)
Weight, g/mol:	468.282209
ΔH_f, kcal/mol:	-137.37
Dipole, Da:	7.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793837
Charge, e:	1

Chem-info

IUPAC name:

[12-[[3-hydroxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy]-12-oxododecyl]imino-iminoazanium

Drug info:

PubChemData

Smile

CC1C2N(C3C(O2)C(C(O3)CO)N=[N+]=N)C(=O)NC1=O

DOS

IR

Vibrations