Geometry & MOs

Info

ID:

167773

PubChem CID:

74872691

Reduced:

NOC4H4 (3)

Stoich.:

ABC4D4 (3)

Weight, g/mol:

250.168128

ΔHf, kcal/mol:

-28.21

Dipole, Da:

2.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.774412

Charge, e:

 0

Chem-info

IUPAC name:

N'-hydroxy-2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanimidamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)OCC[N+]2=NC(=O)C=CC2=O

DOS

IR

Vibrations