Geometry & MOs

Info

ID:	257194
PubChem CID:	103144319
Reduced:	N4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	242.062618
ΔH_f, kcal/mol:	89.12
Dipole, Da:	4.12
IP(EA), eV:	-8.82(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-isoquinolin-8-yl-N-methyl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC=CN=C1C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations