Geometry & MOs

Info

ID:	351296
PubChem CID:	127280184
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-54.12
Dipole, Da:	6.37
IP(EA), eV:	-9.21(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCN(CC2)C(=O)CCN3C=NC=N3

DOS

IR

Vibrations