Geometry & MOs

Info

ID:	286177
PubChem CID:	104158505
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	246.11907
ΔH_f, kcal/mol:	-15.68
Dipole, Da:	4.09
IP(EA), eV:	-9.21(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(isoquinolin-5-ylmethyl)-2-methylsulfanylpropan-1-amine

Drug info:

PubChemData

Smile

CCC(CCNCC1=CC=CC2=C1C=CN=C2)O

DOS

IR

Vibrations