Geometry & MOs

Info

ID:	226679
PubChem CID:	87556834
Reduced:	PO19C63H111 (1)
Stoich.:	AB19C63D111 (1)
Weight, g/mol:	215.103182
ΔH_f, kcal/mol:	-817.85
Dipole, Da:	3.06
IP(EA), eV:	-9.11(0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-acetyloxy-3-carboxypropyl)-cyano-dimethylazanium

Drug info:

PubChemData

Smile

CCCCCC(OO)/C=C/C=C/CCCCCCCC(=O)OC[C@H](O)COP(=O)(OC[C@@H](O)COC(=O)CCCCCCC/C=C/C=C/C(OO)CCCCC)OC[C@@H](O)COC(=O)CCCCCCC/C=C/C=C/C(OO)CCCCC

DOS

IR

Vibrations