Geometry & MOs

Info

ID:	357284
PubChem CID:	127293917
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	399.209282
ΔH_f, kcal/mol:	5.18
Dipole, Da:	7.37
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2=CC=C(C=C2)NC(=O)N3CCCC4=CC=CC=C4C3

DOS

IR

Vibrations