Geometry & MOs

Info

ID:	277000
PubChem CID:	103826198
Reduced:	FN3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	-13.84
Dipole, Da:	2.55
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1(CCC1)CNC2=NC=C(C=N2)F

DOS

IR

Vibrations