Geometry & MOs

Info

ID:

15644

PubChem CID:

446565

Reduced:

NO3C4H8 (1)

Stoich.:

AB3C4D8 (1)

Weight, g/mol:

118.050418

ΔHf, kcal/mol:

-92.2

Dipole, Da:

2.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751600

Charge, e:

 1

Chem-info

IUPAC name:

diformyl-(hydroxymethyl)-methylazanium

Drug info:

PubChemData

Smile

C[N+](CO)(C=O)C=O

DOS

IR

Vibrations