Geometry & MOs

Info

ID:	356731
PubChem CID:	127292212
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-13.85
Dipole, Da:	0.86
IP(EA), eV:	-9.25(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl(thiophen-2-yl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)NCC3(CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations