Geometry & MOs

Info

ID:	373028
PubChem CID:	131308765
Reduced:	ClN2O2F3H6C7 (1)
Stoich.:	AB2C2D3E6F7 (1)
Weight, g/mol:	157.073893
ΔH_f, kcal/mol:	-211.05
Dipole, Da:	8.12
IP(EA), eV:	-8.9(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(1R)-1-nitroethyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

COC1=C(N=C(C(=C1)N)Cl)OC(F)(F)F

DOS

IR

Vibrations