Geometry & MOs

Info

ID:	426052
PubChem CID:	135135548
Reduced:	N2F3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	317.131031
ΔH_f, kcal/mol:	-139.14
Dipole, Da:	2.49
IP(EA), eV:	-9.17(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CNCC1CC2=NC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations