Geometry & MOs

Info

ID:	255582
PubChem CID:	103133148
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-9.97
Dipole, Da:	5.38
IP(EA), eV:	-9.05(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-piperidin-4-yloxyethanone

Drug info:

PubChemData

Smile

CCCC1(CCNC1)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations