Geometry & MOs

Info

ID:	256209
PubChem CID:	103137749
Reduced:	N3O3C11H17 (1)
Stoich.:	A3B3C11D17 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-100.16
Dipole, Da:	7.15
IP(EA), eV:	-10.32(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-3-methoxy-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2CCC(O2)C)C(=O)O

DOS

IR

Vibrations