Geometry & MOs

Info

ID:	219835
PubChem CID:	85164945
Reduced:	O6C39H40 (1)
Stoich.:	A6B39C40 (1)
Weight, g/mol:	604.26136
ΔH_f, kcal/mol:	-131.62
Dipole, Da:	1.8
IP(EA), eV:	-8.89(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[1-benzyl-3-(2,2-diphenylethenyl)-2,2-diphenylcyclopropyl]methylidene]propanedioate

Drug info:

PubChemData

Smile

COC1C(C(C(C(O1)COCC2=CC3=CC=CC=C3C=C2)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations