Geometry & MOs

Info

ID:	257060
PubChem CID:	103143446
Reduced:	NOSH17C18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	18.83
Dipole, Da:	4.52
IP(EA), eV:	-8.78(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-1-isoquinolin-8-yl-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SCC(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations