Geometry & MOs

Info

ID:	256699
PubChem CID:	103140787
Reduced:	IN2O3H9C15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	256.193949
ΔH_f, kcal/mol:	54.25
Dipole, Da:	6.28
IP(EA), eV:	-9.78(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isoquinolin-8-yl-N-propylpentan-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)OC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations