Geometry & MOs

Info

ID:	226734
PubChem CID:	87557924
Reduced:	NPO7C11H22 (1)
Stoich.:	ABC7D11E22 (1)
Weight, g/mol:	348.298808
ΔH_f, kcal/mol:	-276.54
Dipole, Da:	12.55
IP(EA), eV:	-9.33(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-diamino-4,5-bis(4-hydroxybutan-2-yl)-3,6-dimethyloctane-1,8-diol

Drug info:

PubChemData

Smile

CC(=C)C(=O)OOCCOP(=O)([O-])OCC[N+](C)(C)C

DOS

IR

Vibrations