Geometry & MOs

Info

ID:

11282

PubChem CID:

113005

Reduced:

NOH14C15 (1)

Stoich.:

ABC14D15 (1)

Weight, g/mol:

224.107539

ΔHf, kcal/mol:

30.44

Dipole, Da:

2.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.779498

Charge, e:

 1

Chem-info

IUPAC name:

2,3-dimethyl-5-phenyl-1,3-benzoxazol-3-ium

Drug info:

PubChemData

Smile

CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations