Geometry & MOs

Info

ID:	354696
PubChem CID:	127287395
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	393.256232
ΔH_f, kcal/mol:	-55.8
Dipole, Da:	4.47
IP(EA), eV:	-8.39(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C3=CCN(CC3)C(=O)NC(C)C(C)N4CCOCC4

DOS

IR

Vibrations