Geometry & MOs

Info

ID:	306365
PubChem CID:	125003932
Reduced:	N5C15H21 (1)
Stoich.:	A5B15C21 (1)
Weight, g/mol:	431.140055
ΔH_f, kcal/mol:	53.83
Dipole, Da:	6.12
IP(EA), eV:	-8.66(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)[C@@H]2CCCN(C2)CC3=CN=CN3

DOS

IR

Vibrations