Geometry & MOs

Info

ID:	321495
PubChem CID:	126666352
Reduced:	O3N7C26H27 (1)
Stoich.:	A3B7C26D27 (1)
Weight, g/mol:	200.112505
ΔH_f, kcal/mol:	-29.77
Dipole, Da:	11.37
IP(EA), eV:	-8.43(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-4H-pyridine

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC(=C(N=C2)N)C3=NC=CC=N3)C(=O)CCCC4=CN5C=CC=C5C(=O)N4

DOS

IR

Vibrations