Geometry & MOs

Info

ID:	150581
PubChem CID:	53790274
Reduced:	OC9H14 (1)
Stoich.:	AB9C14 (1)
Weight, g/mol:	222.01716
ΔH_f, kcal/mol:	-50.27
Dipole, Da:	3.24
IP(EA), eV:	-9.38(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-3-(trifluoromethyl)-2H-pyridin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CCCC(=O)CCC1

DOS

IR

Vibrations