Geometry & MOs

Info

ID:	277001
PubChem CID:	103826204
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	267.140533
ΔH_f, kcal/mol:	-31.31
Dipole, Da:	3.83
IP(EA), eV:	-9.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(CCNC1)C(=O)NCC2=NC=C(S2)C

DOS

IR

Vibrations