Geometry & MOs

Info

ID:	433157
PubChem CID:	135173294
Reduced:	ClN3H7C8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	244.082347
ΔH_f, kcal/mol:	112.37
Dipole, Da:	4.13
IP(EA), eV:	-9.25(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazin-5-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=NN2CC3=C4C(=NN3C)C=C(C(=N4)Cl)C)N=C1Cl

DOS

IR

Vibrations