Geometry & MOs

Info

ID:	182029
PubChem CID:	76830948
Reduced:	ON3C27H33 (1)
Stoich.:	AB3C27D33 (1)
Weight, g/mol:	384.127406
ΔH_f, kcal/mol:	65.65
Dipole, Da:	6.04
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-fluoroanilino)methylidene]-3-oxo-N-phenylnaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=C4N5C6=CC=CC=C6N=N5)C=O)C)C

DOS

IR

Vibrations