Geometry & MOs

Info

ID:	256047
PubChem CID:	103136610
Reduced:	NCl2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-103.47
Dipole, Da:	2.35
IP(EA), eV:	-9.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-3-methoxypropan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2Cl)Cl)CC(C)N

DOS

IR

Vibrations