Geometry & MOs

Info

ID:	13162
PubChem CID:	222334
Reduced:	ClO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	212.060407
ΔH_f, kcal/mol:	-86.16
Dipole, Da:	2.98
IP(EA), eV:	-9.79(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-chlorobenzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations