Geometry & MOs

Info

ID:	260491
PubChem CID:	103193678
Reduced:	BrON2F3C14H18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	337.98777
ΔH_f, kcal/mol:	-187.55
Dipole, Da:	3.41
IP(EA), eV:	-8.69(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CCC1(CN(CCN1)C2=C(C=C(C=C2)Br)OC(F)(F)F)C

DOS

IR

Vibrations