Geometry & MOs

Info

ID:	420323
PubChem CID:	135112487
Reduced:	FON4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-4.03
Dipole, Da:	3.89
IP(EA), eV:	-8.72(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)CC4=CC=C(O4)C5=CC=CC=C5F

DOS

IR

Vibrations