Geometry & MOs

Info

ID:	437965
PubChem CID:	135227418
Reduced:	N2O2F3H19C22 (1)
Stoich.:	A2B2C3D19E22 (1)
Weight, g/mol:	386.124212
ΔH_f, kcal/mol:	-159.94
Dipole, Da:	4.02
IP(EA), eV:	-9.34(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1,3-benzoxazin-2-ol

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C3=CC=C(C=C3)C(F)(F)F)OCOCN1CC4=CC=CC=N4

DOS

IR

Vibrations