Geometry & MOs

Info

ID:	317511
PubChem CID:	126640105
Reduced:	N2F4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	482.289306
ΔH_f, kcal/mol:	-185.28
Dipole, Da:	2.63
IP(EA), eV:	-9.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(2-hydroxypropyl)-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=CC(=C1F)CC(C)(C)C2=NC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations