Geometry & MOs

Info

ID:	317720
PubChem CID:	126645372
Reduced:	NO2H5C6 (3)
Stoich.:	AB2C5D6 (3)
Weight, g/mol:	425.121472
ΔH_f, kcal/mol:	-119.22
Dipole, Da:	2.94
IP(EA), eV:	-9.19(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1-[3-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]phenyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC(=N2)CN3C(=O)COC4=C3C=C(C=C4)C(=O)NO

DOS

IR

Vibrations