Geometry & MOs

Info

ID:	354393
PubChem CID:	127286637
Reduced:	SO3N4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	322.146347
ΔH_f, kcal/mol:	-91.33
Dipole, Da:	4.24
IP(EA), eV:	-9.58(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-N-[2-(thiophene-2-carbonylamino)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCNC1=O)C(=O)NCCNC(=O)C2=CC=CS2

DOS

IR

Vibrations