Geometry & MOs

Info

ID:	403577
PubChem CID:	135060903
Reduced:	H10C13 (2)
Stoich.:	A10B13 (2)
Weight, g/mol:	460.26136
ΔH_f, kcal/mol:	93.83
Dipole, Da:	0.38
IP(EA), eV:	-8.51(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2S,4S,5S)-2,5-diethyl-4-phenyl-1,3-dioxolan-4-yl]-2-phenylcyclohexa-1,5-dien-1-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(CC=C3C4=CC=CC=C4)C=C2C=C1)C5=CC=CC=C5

DOS

IR

Vibrations