Geometry & MOs

Info

ID:	257103
PubChem CID:	103143798
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-9.3
Dipole, Da:	4.39
IP(EA), eV:	-8.91(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations