Geometry & MOs

Info

ID:	380125
PubChem CID:	134965063
Reduced:	NF3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	250.155552
ΔH_f, kcal/mol:	-111.75
Dipole, Da:	2.18
IP(EA), eV:	-8.71(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl (2S)-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C(F)(F)F)NC2=CC=CC=C2

DOS

IR

Vibrations