Geometry & MOs

Info

ID:

314537

PubChem CID:

126622084

Reduced:

NO4C7H16 (1)

Stoich.:

AB4C7D16 (1)

Weight, g/mol:

178.107933

ΔHf, kcal/mol:

-156.24

Dipole, Da:

6.3

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755026

Charge, e:

 1

Chem-info

IUPAC name:

2-[carboxy(hydroxy)methoxy]ethyl-trimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CC(C(=O)O)OCO

DOS

IR

Vibrations