Geometry & MOs

Info

ID:	419223
PubChem CID:	135107765
Reduced:	F2N3O4C17H19 (1)
Stoich.:	A2B3C4D17E19 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-173.47
Dipole, Da:	1.47
IP(EA), eV:	-9.12(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)N2C[C@H]([C@@H](C2)F)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations