Geometry & MOs

Info

ID:	10681
PubChem CID:	106600
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-99.68
Dipole, Da:	2.94
IP(EA), eV:	-9.78(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-heptylbenzoate

Drug info:

PubChemData

Smile

CCCCCCCC1=CC=C(C=C1)C(=O)OC

DOS

IR

Vibrations