Geometry & MOs

Info

ID:	374833
PubChem CID:	131349353
Reduced:	ClNO3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	161.06522
ΔH_f, kcal/mol:	-100.89
Dipole, Da:	2.42
IP(EA), eV:	-9.57(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-2-(3-hydroxycyclopentyl)acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=N1)C(=O)OC)O)Cl

DOS

IR

Vibrations