Geometry & MOs

Info

ID:	363699
PubChem CID:	127313317
Reduced:	FON5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	392.188212
ΔH_f, kcal/mol:	-27.44
Dipole, Da:	4.21
IP(EA), eV:	-8.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC(=CC(=C2N=C1C)C(=O)N3CCC4=C(C3)N=C(N4C)C(C)C)F

DOS

IR

Vibrations