Geometry & MOs

Info

ID:	136558
PubChem CID:	52063329
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	24.49
Dipole, Da:	4.01
IP(EA), eV:	-9.17(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]indazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN1C(=O)C2CCN(CC2)CC3=NN=C(O3)C4=CN=CC=C4

DOS

IR

Vibrations