Geometry & MOs

Info

ID:	305792
PubChem CID:	124969260
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	435.169525
ΔH_f, kcal/mol:	-93.29
Dipole, Da:	4.63
IP(EA), eV:	-8.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1)C(=O)N2CCCC[C@@H]2C3=NC=C(O3)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations