Geometry & MOs

Info

ID:	336511
PubChem CID:	127255518
Reduced:	NI2C5H11 (1)
Stoich.:	AB2C5D11 (1)
Weight, g/mol:	239.032476
ΔH_f, kcal/mol:	-2.32
Dipole, Da:	8.03
IP(EA), eV:	-8.53(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride

Drug info:

PubChemData

Smile

C1CC(CNC1)I.I

DOS

IR

Vibrations