Geometry & MOs

Info

ID:	407216
PubChem CID:	135079576
Reduced:	SB2N2O2C22H24 (1)
Stoich.:	AB2C2D2E22F24 (1)
Weight, g/mol:	264.11503
ΔH_f, kcal/mol:	-151.5
Dipole, Da:	3.07
IP(EA), eV:	-7.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-8-(furan-2-yl)-1-phenyloct-2-en-7-yn-1-one

Drug info:

PubChemData

Smile

B1(NC2=CC=CC3=C2C(=CC=C3)N1)/C=C(\B4OC(C(O4)(C)C)(C)C)/C5=CC=CS5

DOS

IR

Vibrations