Geometry & MOs

Info

ID:	339115
PubChem CID:	127260494
Reduced:	ClO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	223.040006
ΔH_f, kcal/mol:	-184.2
Dipole, Da:	6.08
IP(EA), eV:	-10.33(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-3-cyanopropyl) benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCCC(C(CCO)O)Cl

DOS

IR

Vibrations