Geometry & MOs

Info

ID:	343536
PubChem CID:	127266709
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	280.059424
ΔH_f, kcal/mol:	-37.9
Dipole, Da:	3.34
IP(EA), eV:	-9.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]-2,6-difluorobenzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)N2CCC3=NC=CC(=C3C2)N

DOS

IR

Vibrations