Geometry & MOs

Info

ID:	13356
PubChem CID:	226960
Reduced:	O2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	254.13068
ΔH_f, kcal/mol:	-56.76
Dipole, Da:	2.9
IP(EA), eV:	-9.32(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylpropyl 3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)OCCCC2=CC=CC=C2

DOS

IR

Vibrations