Geometry & MOs

Info

ID:	257026
PubChem CID:	103143132
Reduced:	ClNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-74.45
Dipole, Da:	1.0
IP(EA), eV:	-8.46(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-isoquinolin-8-ylpiperidin-4-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)C2=C(C=CC=C2Cl)N

DOS

IR

Vibrations