Geometry & MOs

Info

ID:	56934
PubChem CID:	22394909
Reduced:	SN4O7C19H24 (1)
Stoich.:	AB4C7D19E24 (1)
Weight, g/mol:	272.120115
ΔH_f, kcal/mol:	-229.3
Dipole, Da:	8.25
IP(EA), eV:	-9.16(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(3H-naphthalen-2-ylidene)-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

CN(C1=NC(=CO1)C(=O)NC(CC2=CC=C(C=C2)O)C(C(CCC#N)O)O)S(=O)(=O)C

DOS

IR

Vibrations