Geometry & MOs

Info

ID:

167724

PubChem CID:

74863537

Reduced:

O3N7H11C15 (1)

Stoich.:

A3B7C11D15 (1)

Weight, g/mol:

222.100442

ΔHf, kcal/mol:

130.55

Dipole, Da:

0.84

IP(EA), eV:

-9.81(-1.91)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenoxy]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)C2=CC=C(C=C2)N3C=NN=N3

DOS

IR

Vibrations