Geometry & MOs

Info

ID:	424996
PubChem CID:	135124767
Reduced:	ClN3C11H12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	384.00965
ΔH_f, kcal/mol:	23.77
Dipole, Da:	3.41
IP(EA), eV:	-9.62(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(5-bromo-2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-1,3-oxazin-2-amine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CC=N2)C(=N)N.Cl

DOS

IR

Vibrations