Geometry & MOs

Info

ID:	208345
PubChem CID:	80521849
Reduced:	BrO2N3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	274.171499
ΔH_f, kcal/mol:	45.5
Dipole, Da:	4.55
IP(EA), eV:	-8.82(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-methylcyclohexanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NOC(=C2C3=CC=CC=N3)N)Br

DOS

IR

Vibrations