Geometry & MOs

Info

ID:	293634
PubChem CID:	117394664
Reduced:	SO3C13H20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	256.193949
ΔH_f, kcal/mol:	-111.87
Dipole, Da:	5.36
IP(EA), eV:	-8.18(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylisoquinolin-7-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CO)C1=C(C=CC(=C1SC)OC)OC

DOS

IR

Vibrations