Geometry & MOs

Info

ID:	139962
PubChem CID:	52622338
Reduced:	N4O4C23H34 (1)
Stoich.:	A4B4C23D34 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-185.2
Dipole, Da:	8.67
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]propyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)C(=O)NCCCN3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations