Geometry & MOs

Info

ID:	256472
PubChem CID:	103139436
Reduced:	ON3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	295.103085
ΔH_f, kcal/mol:	-53.75
Dipole, Da:	4.3
IP(EA), eV:	-8.76(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1CC2CCC(O2)C)CC)C(CC)N

DOS

IR

Vibrations