Geometry & MOs

Info

ID:	190430
PubChem CID:	78003308
Reduced:	OF3N3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	243.151767
ΔH_f, kcal/mol:	-109.82
Dipole, Da:	2.62
IP(EA), eV:	-8.75(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(tert-butylamino)-6-(cyclopropylamino)-1,3,5-triazinane-2-thione

Drug info:

PubChemData

Smile

C1C(NC2C(C1=O)C(NN2C3=CC=CC=C3)C4=CC=CC=C4)C(F)(F)F

DOS

IR

Vibrations