Geometry & MOs

Info

ID:	305881
PubChem CID:	124972570
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-119.66
Dipole, Da:	3.31
IP(EA), eV:	-9.04(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-[6-[(3R)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridin-3-yl]-1,2-oxazole

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N2CC[C@@](C2)(CN3CCOCC3)O

DOS

IR

Vibrations