Geometry & MOs

Info

ID:	83826
PubChem CID:	49861615
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	456.286719
ΔH_f, kcal/mol:	-78.19
Dipole, Da:	5.51
IP(EA), eV:	-8.57(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(2-butoxycyclohexyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(C(C1)C#N)N2CCN(CC2)CCCN3C(=O)C4CCCCN4C3=O

DOS

IR

Vibrations