Geometry & MOs

Info

ID:	299353
PubChem CID:	117682719
Reduced:	ON7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	159.142328
ΔH_f, kcal/mol:	67.6
Dipole, Da:	2.45
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine

Drug info:

PubChemData

Smile

C1CN(C1)C2=NC(=CC(=N2)N3C[C@H]4C[C@@H]3CO4)C5=CN=C(N=C5)N

DOS

IR

Vibrations