Geometry & MOs

Info

ID:	286176
PubChem CID:	104158435
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-40.71
Dipole, Da:	5.62
IP(EA), eV:	-8.96(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(isoquinolin-5-ylmethylamino)pentan-3-ol

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(S1)N2CCC(=CC2)C(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations