Geometry & MOs

Info

ID:	155882
PubChem CID:	56368099
Reduced:	O4N6C23H24 (1)
Stoich.:	A4B6C23D24 (1)
Weight, g/mol:	410.198777
ΔH_f, kcal/mol:	-19.53
Dipole, Da:	8.29
IP(EA), eV:	-9.37(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butylsulfonyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=N1)NC2=C(C=C(C=C2)C(=O)NCCC(=O)NCC3=CC=NC=C3)[N+](=O)[O-]

DOS

IR

Vibrations