Geometry & MOs

Info

ID:	393237
PubChem CID:	135019820
Reduced:	O2H13C14 (2)
Stoich.:	A2B13C14 (2)
Weight, g/mol:	268.14633
ΔH_f, kcal/mol:	-15.26
Dipole, Da:	5.75
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-tert-butylphenyl) 2-phenylacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC#CC#CCOC2=C(C=C(C=C2)C)/C=C/C(=O)C)/C=C/C(=O)C

DOS

IR

Vibrations