Geometry & MOs

Info

ID:	137212
PubChem CID:	52170731
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	-153.49
Dipole, Da:	2.76
IP(EA), eV:	-9.43(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-piperidin-1-ylisoquinolin-8-yl)-2-(1,2,4-triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C(=O)NC[C@@H]2CCCO2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations