Geometry & MOs

Info

ID:	85602
PubChem CID:	49877598
Reduced:	ClNO2F4C15H17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	136.016531
ΔH_f, kcal/mol:	-197.68
Dipole, Da:	2.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.825994
Charge, e:	-1

Chem-info

IUPAC name:

1-aminocyclopropane-1-carboxylic acid;chloride

Drug info:

PubChemData

Smile

CCOC1=C(C(=C(C(=C1F)F)/C=C/CN2CCOCC2)F)F.[Cl-]

DOS

IR

Vibrations