Geometry & MOs

Info

ID:

165804

PubChem CID:

74600357

Reduced:

SN2O3C11H19 (1)

Stoich.:

AB2C3D11E19 (1)

Weight, g/mol:

189.100108

ΔHf, kcal/mol:

-107.66

Dipole, Da:

6.8

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755694

Charge, e:

 0

Chem-info

IUPAC name:

6-acetyloxy-2-azaniumylhexanoate

Drug info:

PubChemData

Smile

COC(=O)C1CCCC2N1C(=O)C(CCS2)[NH3+]

DOS

IR

Vibrations