Geometry & MOs

Info

ID:	356861
PubChem CID:	127292465
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	337.193632
ΔH_f, kcal/mol:	3.26
Dipole, Da:	3.79
IP(EA), eV:	-9.28(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)N2CCCCC2C3=NC=CN3

DOS

IR

Vibrations