Geometry & MOs

Info

ID:	67052
PubChem CID:	46505768
Reduced:	O5C33H44 (1)
Stoich.:	A5B33C44 (1)
Weight, g/mol:	314.13068
ΔH_f, kcal/mol:	-174.62
Dipole, Da:	4.95
IP(EA), eV:	-8.13(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-6-methoxy-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OCCCC)OCC)/CC(C2)C)OCC

DOS

IR

Vibrations