Geometry & MOs

Info

ID:	185838
PubChem CID:	77357779
Reduced:	N2F3O8C14H15 (1)
Stoich.:	A2B3C8D14E15 (1)
Weight, g/mol:	282.085186
ΔH_f, kcal/mol:	-414.37
Dipole, Da:	5.99
IP(EA), eV:	-9.49(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-carboxyoxy-2-oxo-3,9-diazatricyclo[4.3.1.03,10]dec-4-en-5-yl)acetate

Drug info:

PubChemData

Smile

COC(=O)CC1=C(N2C3C1CCNC3C2=O)OC(=O)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations