Geometry & MOs

Info

ID:	319893
PubChem CID:	126657495
Reduced:	ON7C20H23 (1)
Stoich.:	AB7C20D23 (1)
Weight, g/mol:	317.289407
ΔH_f, kcal/mol:	80.96
Dipole, Da:	4.33
IP(EA), eV:	-8.95(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-difluoro-1-(2-hexylnonyl)pyrrolidine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1OCCC2CCNCC2)C3=C4C(=NC(=N3)C#N)N(C=N4)C

DOS

IR

Vibrations