Geometry & MOs

Info

ID:	317698
PubChem CID:	126645202
Reduced:	N2O5C20H20 (1)
Stoich.:	A2B5C20D20 (1)
Weight, g/mol:	401.09632
ΔH_f, kcal/mol:	-110.12
Dipole, Da:	3.65
IP(EA), eV:	-8.92(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1-[3-[7-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]phenyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NO)OC4(C2=O)CCC4

DOS

IR

Vibrations