Geometry & MOs

Info

ID:	360118
PubChem CID:	127300503
Reduced:	FON6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	399.243439
ΔH_f, kcal/mol:	-15.22
Dipole, Da:	5.74
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)NC3CCCN(C3)C4=C(C=C(C=C4)C#N)F

DOS

IR

Vibrations