Geometry & MOs

Info

ID:	256512
PubChem CID:	103139669
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	293.087435
ΔH_f, kcal/mol:	-27.4
Dipole, Da:	4.07
IP(EA), eV:	-8.59(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzothiophen-2-yl(isoquinolin-8-yl)methanol

Drug info:

PubChemData

Smile

CCC(CC1=CN(C2=C1C=CC=N2)CC3CCC(O3)C)N

DOS

IR

Vibrations