Geometry & MOs

Info

ID:	381232
PubChem CID:	134971899
Reduced:	O5C35H36 (1)
Stoich.:	A5B35C36 (1)
Weight, g/mol:	318.16198
ΔH_f, kcal/mol:	-134.63
Dipole, Da:	1.52
IP(EA), eV:	-9.23(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4E)-4-(2,3-dihydroinden-1-ylidene)-2-methylidene-4-phenylbutanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC([C@H]1C(OC(O1)(C)C)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations