Geometry & MOs

Info

ID:	306415
PubChem CID:	125011633
Reduced:	ClO2N4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	384.135304
ΔH_f, kcal/mol:	4.46
Dipole, Da:	4.32
IP(EA), eV:	-9.43(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)N2CCCC[C@H]2C3=NC=C(O3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations