Geometry & MOs

Info

ID:	217864
PubChem CID:	85088507
Reduced:	N5O7C17H21 (1)
Stoich.:	A5B7C17D21 (1)
Weight, g/mol:	407.136887
ΔH_f, kcal/mol:	-194.43
Dipole, Da:	8.78
IP(EA), eV:	-9.58(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-2-oxo-1-phenylethyl) 1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1C(C3(C4C(N4C(=O)N)CN2O3)OC)COC(=O)N)C(=O)N

DOS

IR

Vibrations