Geometry & MOs

Info

ID:	226804
PubChem CID:	87558420
Reduced:	O3C12H19 (2)
Stoich.:	A3B12C19 (2)
Weight, g/mol:	495.179205
ΔH_f, kcal/mol:	-169.31
Dipole, Da:	0.1
IP(EA), eV:	-10.08(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-(2,5-dimethylphenyl)acetaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)OOC(=O)C1=CC=C(C=C1)C(=O)OOC(C)(C)CC(C)(C)C

DOS

IR

Vibrations