Geometry & MOs

Info

ID:	256495
PubChem CID:	103139594
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	293.087435
ΔH_f, kcal/mol:	-51.99
Dipole, Da:	2.32
IP(EA), eV:	-9.32(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCC(C1=CC=CC2=C1C=NC=C2)O

DOS

IR

Vibrations