Geometry & MOs

Info

ID:	180137
PubChem CID:	76583675
Reduced:	FO2N3C22H32 (1)
Stoich.:	AB2C3D22E32 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-138.07
Dipole, Da:	5.35
IP(EA), eV:	-8.91(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1-ethylpiperidin-4-yl)methoxy]-8aH-isoquinolin-1-one

Drug info:

PubChemData

Smile

CCC1CNC(=O)C2C1C(C(CC2)OC3CCN(CC3)CC4=CC=CC=N4)F

DOS

IR

Vibrations