Geometry & MOs

Info

ID:	188561
PubChem CID:	77734381
Reduced:	F2N2O3C15H20 (1)
Stoich.:	A2B2C3D15E20 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-201.76
Dipole, Da:	4.91
IP(EA), eV:	-9.48(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[1-(pyridine-3-carbonyl)piperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC1CNCC(C(CC2=CC(=CC(=C2)F)F)NC(=O)O)O

DOS

IR

Vibrations