Geometry & MOs

Info

ID:	256473
PubChem CID:	103139455
Reduced:	NOSH17C18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	271.0667
ΔH_f, kcal/mol:	13.61
Dipole, Da:	5.24
IP(EA), eV:	-8.99(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(4-methoxythiophen-2-yl)methanol

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(C3=CC=CC4=C3C=NC=C4)O

DOS

IR

Vibrations