Geometry & MOs

Info

ID:	257151
PubChem CID:	103144070
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	226.146999
ΔH_f, kcal/mol:	-72.58
Dipole, Da:	1.19
IP(EA), eV:	-9.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-methylpiperidin-4-yl)isoquinoline

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=C1C=NC=C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations