Geometry & MOs

Info

ID:	356781
PubChem CID:	127292321
Reduced:	O2N6C13H20 (1)
Stoich.:	A2B6C13D20 (1)
Weight, g/mol:	323.177982
ΔH_f, kcal/mol:	-54.0
Dipole, Da:	6.29
IP(EA), eV:	-9.71(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)NCC2=NN=C3N2CCCC3

DOS

IR

Vibrations