Geometry & MOs

Info

ID:	415068
PubChem CID:	135088054
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-125.58
Dipole, Da:	4.61
IP(EA), eV:	-9.57(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations