Geometry & MOs

Info

ID:	255611
PubChem CID:	103133391
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	7.36
IP(EA), eV:	-9.3(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-3-piperidin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C(CCCOC)N

DOS

IR

Vibrations