Geometry & MOs

Info

ID:	256998
PubChem CID:	103143002
Reduced:	IN2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-113.18
Dipole, Da:	2.51
IP(EA), eV:	-9.34(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isoquinolin-8-yl-1,2-dimethylpiperidin-4-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=O)C(=CN(C2=O)C)I

DOS

IR

Vibrations