Geometry & MOs

Info

ID:	317745
PubChem CID:	126645633
Reduced:	N2F3O3H15C17 (1)
Stoich.:	A2B3C3D15E17 (1)
Weight, g/mol:	439.283492
ΔH_f, kcal/mol:	-194.2
Dipole, Da:	3.98
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butylazanium;1-[3-(7-ethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-5-yl)phenyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C(N1CC3=CC=CC=C3C(F)(F)F)C=C(C=C2)C(=O)NO

DOS

IR

Vibrations