Geometry & MOs

Info

ID:	257082
PubChem CID:	103143638
Reduced:	NC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	283.204848
ΔH_f, kcal/mol:	38.89
Dipole, Da:	2.17
IP(EA), eV:	-8.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-methyl-2-piperidin-1-ylpropan-1-amine

Drug info:

PubChemData

Smile

CC1(CCCN1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations