Geometry & MOs

Info

ID:	431238
PubChem CID:	135171309
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	30.64
Dipole, Da:	6.66
IP(EA), eV:	-9.34(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-7-piperidin-4-yloxyisoquinolin-1-one

Drug info:

PubChemData

Smile

C1CNCCC1OC2=CC3=NON=C3C=C2

DOS

IR

Vibrations