Geometry & MOs

Info

ID:	385187
PubChem CID:	134978479
Reduced:	NC25H27 (1)
Stoich.:	AB25C27 (1)
Weight, g/mol:	392.17763
ΔH_f, kcal/mol:	78.01
Dipole, Da:	4.21
IP(EA), eV:	-8.98(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8E)-1,10-diphenyl-17-oxatetracyclo[8.6.1.02,9.011,16]heptadeca-8,11,13,15-tetraen-3-one

Drug info:

PubChemData

Smile

CC1C(C(=C=C(C2=CC=CC=C2)C3=CC=CC=C3)C(C1(C)C)(C)C)C#N

DOS

IR

Vibrations