Geometry & MOs

Info

ID:	17967
PubChem CID:	530440
Reduced:	OC10H16 (2)
Stoich.:	AB10C16 (2)
Weight, g/mol:	304.24023
ΔH_f, kcal/mol:	-127.31
Dipole, Da:	2.57
IP(EA), eV:	-9.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

undecyl 4-ethylbenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCOC(=O)C1=CC=C(C=C1)CC

DOS

IR

Vibrations