Geometry & MOs

Info

ID:

83866

PubChem CID:

49862028

Reduced:

N2F3O4C9H9 (3)

Stoich.:

A2B3C4D9E9 (3)

Weight, g/mol:

342.032668

ΔHf, kcal/mol:

-916.66

Dipole, Da:

17.32

IP(EA), eV:

 -10.12(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(E)-(3,4-dichlorophenyl)methylideneamino]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1C2=C(C=C(O2)C(=O)NCC3=C(C=C(O3)C(=O)NCC4=C(C=C(O4)C(=O)N1)C[NH3+])C[NH3+])C[NH3+].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations