Geometry & MOs

Info

ID:

85837

PubChem CID:

49879675

Reduced:

ClON2C19H24 (1)

Stoich.:

ABC2D19E24 (1)

Weight, g/mol:

213.04308

ΔHf, kcal/mol:

19.41

Dipole, Da:

4.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750023

Charge, e:

 -1

Chem-info

IUPAC name:

6-amino-4-methyl-1,4-benzoxazin-3-one;chloride

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2.[Cl-]

DOS

IR

Vibrations