Geometry & MOs

Info

ID:	11199
PubChem CID:	111740
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-173.89
Dipole, Da:	6.65
IP(EA), eV:	-10.59(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-heptoxycarbonylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCCCOC(=O)C1=CC=CC=C1C(=O)O

DOS

IR

Vibrations