Geometry & MOs

Info

ID:	134056
PubChem CID:	51634024
Reduced:	FON2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	340.220044
ΔH_f, kcal/mol:	-71.35
Dipole, Da:	3.23
IP(EA), eV:	-8.47(0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S,4R)-4-[(2,5-difluorophenyl)methylamino]-N-ethyl-1-(2-methylpropyl)pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN2CCC[C@H](C2)N3CCCC3)F

DOS

IR

Vibrations