Geometry & MOs

Info

ID:	41501
PubChem CID:	8145999
Reduced:	O2F3N4H11C15 (1)
Stoich.:	A2B3C4D11E15 (1)
Weight, g/mol:	400.223631
ΔH_f, kcal/mol:	-139.18
Dipole, Da:	3.95
IP(EA), eV:	-9.29(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl (3R)-1-[[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations