Geometry & MOs

Info

ID:	19355
PubChem CID:	562378
Reduced:	ON2F3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	344.113648
ΔH_f, kcal/mol:	-110.95
Dipole, Da:	6.4
IP(EA), eV:	-8.9(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-9-(trifluoromethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine

Drug info:

PubChemData

Smile

C1C2=C(C3=C(C=C2)C=CC(=N3)C(F)(F)F)OCN1CC4=CC=CC=C4

DOS

IR

Vibrations