Geometry & MOs

Info

ID:	13181
PubChem CID:	222573
Reduced:	OC5H6 (5)
Stoich.:	AB5C6 (5)
Weight, g/mol:	410.209324
ΔH_f, kcal/mol:	-191.94
Dipole, Da:	5.29
IP(EA), eV:	-10.27(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentyl 2-(4-pentoxycarbonylbenzoyl)benzoate

Drug info:

PubChemData

Smile

CCCCCOC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCCCC

DOS

IR

Vibrations