Geometry & MOs

Info

ID:	306276
PubChem CID:	125003504
Reduced:	O2N6H14C15 (1)
Stoich.:	A2B6C14D15 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	49.65
Dipole, Da:	5.64
IP(EA), eV:	-9.35(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3R)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CO[C@@H](CN1C(=O)C2=C3N=CC=CN3N=C2)C4=NC=CN=C4

DOS

IR

Vibrations