Geometry & MOs

Info

ID:	7977
PubChem CID:	74557
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-159.14
Dipole, Da:	4.11
IP(EA), eV:	-10.68(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxycarbonylbenzoic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations