Geometry & MOs

Info

ID:	243210
PubChem CID:	99216994
Reduced:	F2N3O3H15C19 (1)
Stoich.:	A2B3C3D15E19 (1)
Weight, g/mol:	427.25834
ΔH_f, kcal/mol:	-72.81
Dipole, Da:	6.54
IP(EA), eV:	-8.74(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[3-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(N2)CCC(=O)NC3=CC(=C(C=C3F)F)[N+](=O)[O-]

DOS

IR

Vibrations