Geometry & MOs

Info

ID:	413576
PubChem CID:	135086525
Reduced:	O2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	-60.09
Dipole, Da:	2.71
IP(EA), eV:	-8.73(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3-trimethylbutan-2-yl (E)-2-methyl-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)C2=CC=CC=C2OC)O

DOS

IR

Vibrations