Geometry & MOs

Info

ID:	255469
PubChem CID:	103132303
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-27.83
Dipole, Da:	2.83
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-8-yl-4-(2-methoxyethylamino)butan-2-ol

Drug info:

PubChemData

Smile

CC(C)CNCCC(C)(C1=CC=CC2=C1C=NC=C2)O

DOS

IR

Vibrations