Geometry & MOs

Info

ID:	363848
PubChem CID:	127313505
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-147.49
Dipole, Da:	8.86
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C(=O)CCC2)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations