Geometry & MOs

Info

ID:	406789
PubChem CID:	135078613
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-139.78
Dipole, Da:	3.37
IP(EA), eV:	-10.28(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentylethyl benzoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C(=O)/C=C/CCCC(=O)CCl

DOS

IR

Vibrations