Geometry & MOs

Info

ID:	373161
PubChem CID:	131310879
Reduced:	BrClFN2H7C9 (1)
Stoich.:	ABCD2E7F9 (1)
Weight, g/mol:	236.073182
ΔH_f, kcal/mol:	-6.14
Dipole, Da:	2.04
IP(EA), eV:	-9.51(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-6-(thiophen-2-ylmethylamino)-1,3-diazinane-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1F)CC(C#N)N)Br)Cl

DOS

IR

Vibrations