Geometry & MOs

Info

ID:	134165
PubChem CID:	51656440
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	458.281895
ΔH_f, kcal/mol:	-63.15
Dipole, Da:	12.88
IP(EA), eV:	-8.32(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S,4R)-4-[(3,5-dimethoxyphenyl)methylamino]-N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C2=N[C@@H]([C@@H](C(=N2)[O-])C(=O)OCC)C3=CC=CC=C3

DOS

IR

Vibrations