Geometry & MOs

Info

ID:	372948
PubChem CID:	131307371
Reduced:	N3C9H17 (1)
Stoich.:	A3B9C17 (1)
Weight, g/mol:	249.053212
ΔH_f, kcal/mol:	22.46
Dipole, Da:	4.62
IP(EA), eV:	-8.68(1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]pyrrolidine

Drug info:

PubChemData

Smile

CN1CCCCC(C1)(CN)C#N

DOS

IR

Vibrations