Geometry & MOs

Info

ID:	412698
PubChem CID:	135085612
Reduced:	ClO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-176.35
Dipole, Da:	2.39
IP(EA), eV:	-9.9(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyanopentan-2-yl benzoate

Drug info:

PubChemData

Smile

CCC(COC(C)(C)C)OC(=O)CCl

DOS

IR

Vibrations