Geometry & MOs

Info

ID:	374268
PubChem CID:	131326004
Reduced:	NF2O4C9H9 (1)
Stoich.:	AB2C4D9E9 (1)
Weight, g/mol:	140.015667
ΔH_f, kcal/mol:	-233.85
Dipole, Da:	2.45
IP(EA), eV:	-9.59(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)thiadiazole-4-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC(=C(C(=C1O)F)O)F)N

DOS

IR

Vibrations