Geometry & MOs

Info

ID:	361562
PubChem CID:	127303754
Reduced:	BrON4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	337.193632
ΔH_f, kcal/mol:	7.38
Dipole, Da:	3.68
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)C3=NNC4=C3C=C(C=C4)Br

DOS

IR

Vibrations