Geometry & MOs

Info

ID:	320630
PubChem CID:	126662184
Reduced:	FSN3O3C19H24 (1)
Stoich.:	ABC3D3E19F24 (1)
Weight, g/mol:	506.325691
ΔH_f, kcal/mol:	-125.71
Dipole, Da:	6.31
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethoxypropyl)-4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)F)O[C@H](C)[C@H](CO)O

DOS

IR

Vibrations