Geometry & MOs

Info

ID:	255468
PubChem CID:	103132297
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-24.96
Dipole, Da:	4.92
IP(EA), eV:	-8.93(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations