Geometry & MOs

Info

ID:	256427
PubChem CID:	103139188
Reduced:	ON2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	257.062283
ΔH_f, kcal/mol:	27.86
Dipole, Da:	5.0
IP(EA), eV:	-9.23(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(4-methylthiadiazol-5-yl)methanol

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations