Geometry & MOs

Info

ID:	148915
PubChem CID:	53788585
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	229.067369
ΔH_f, kcal/mol:	-73.65
Dipole, Da:	3.18
IP(EA), eV:	-8.6(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dihydroisoquinolin-1-yl)-4-methylthiadiazole

Drug info:

PubChemData

Smile

CCCCCCCC=NC1=C(C=CC(=C1)O)O

DOS

IR

Vibrations