Geometry & MOs

Info

ID:

30197

PubChem CID:

840639

Reduced:

NOSC11H14 (1)

Stoich.:

ABCD11E14 (1)

Weight, g/mol:

334.131742

ΔHf, kcal/mol:

-32.98

Dipole, Da:

4.28

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.807940

Charge, e:

0

Chem-info

IUPAC name:

N-[(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=[N+]2CCO)C

DOS

IR

Vibrations