Geometry & MOs

Info

ID:	125782
PubChem CID:	50937966
Reduced:	ClFON3C22H26 (1)
Stoich.:	ABCD3E22F26 (1)
Weight, g/mol:	323.293663
ΔH_f, kcal/mol:	-56.71
Dipole, Da:	2.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.128506
Charge, e:	2

Chem-info

IUPAC name:

[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

C1C[C@@H]2CC(C[C@@H](C1)[NH+]2CC3=CC=C(C=C3)F)NC(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations