Geometry & MOs

Info

ID:

395192

PubChem CID:

135024879

Reduced:

PN3O10C14H21 (1)

Stoich.:

AB3C10D14E21 (1)

Weight, g/mol:

45.014784

ΔHf, kcal/mol:

-425.98

Dipole, Da:

18.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.770275

Charge, e:

 -1

Chem-info

IUPAC name:

hydroxyborinate

Drug info:

PubChemData

Smile

CNC(=O)CCOC1[C@@H](O[C@@H](C1OP(=O)([O-])OC)CO)N2C=CC(=O)NC2=O

DOS

IR

Vibrations