Geometry & MOs

Info

ID:	403964
PubChem CID:	135063535
Reduced:	BO4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	294.198365
ΔH_f, kcal/mol:	-198.03
Dipole, Da:	8.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.014885
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methylpropan-2-yl)oxy]-4-[(E,2S)-5-phenylpent-3-en-2-yl]benzene

Drug info:

PubChemData

Smile

[B-]12(C(=C(C(=O)O1)C3=CC=CC=C3)CC)OC(C(O2)(C)C)(C)C

DOS

IR

Vibrations