Geometry & MOs

Info

ID:	207557
PubChem CID:	80415314
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	245.073517
ΔH_f, kcal/mol:	23.47
Dipole, Da:	5.54
IP(EA), eV:	-8.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-aminothiadiazol-4-yl)methyl-methylamino]benzonitrile

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1/C(=N/O)/N)C(=O)C2=CC=CC=N2

DOS

IR

Vibrations