Geometry & MOs

Info

ID:	244939
PubChem CID:	99431630
Reduced:	O2N3F4H19C21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	-228.71
Dipole, Da:	5.56
IP(EA), eV:	-9.9(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[(3R)-1-[(2R)-2-morpholin-4-ylpropanoyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=NC2=CC(=CC(=C2N=C1C)C(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O)F

DOS

IR

Vibrations