Geometry & MOs

Info

ID:	312591
PubChem CID:	126606717
Reduced:	IOH19C25 (1)
Stoich.:	ABC19D25 (1)
Weight, g/mol:	380.27153
ΔH_f, kcal/mol:	65.64
Dipole, Da:	3.46
IP(EA), eV:	-9.14(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5'Z)-4'-ethenyl-3'-ethyl-5'-ethylidene-5,5,6'-trimethyl-2'-propylspiro[1,3-dioxane-2,1'-8H-benzo[7]annulene]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C(C3=CC=CC(=C3)C4=CC=CC=C4)(O)I

DOS

IR

Vibrations