Geometry & MOs

Info

ID:	13163
PubChem CID:	222335
Reduced:	ClO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	212.060407
ΔH_f, kcal/mol:	-91.29
Dipole, Da:	2.25
IP(EA), eV:	-9.93(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl 4-chlorobenzoate

Drug info:

PubChemData

Smile

CCC(C)OC(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations