Geometry & MOs

Info

ID:	244236
PubChem CID:	99319532
Reduced:	FO4N5C20H20 (1)
Stoich.:	AB4C5D20E20 (1)
Weight, g/mol:	404.222369
ΔH_f, kcal/mol:	-68.15
Dipole, Da:	4.76
IP(EA), eV:	-9.51(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CC(=O)NCCNC(=O)CCN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

DOS

IR

Vibrations