Geometry & MOs

Info

ID:	20812
PubChem CID:	585843
Reduced:	OC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	268.14633
ΔH_f, kcal/mol:	-66.35
Dipole, Da:	1.63
IP(EA), eV:	-9.0(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,6-trimethylphenyl) 3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)OC(=O)CCC2=CC=CC=C2)C

DOS

IR

Vibrations