Geometry & MOs

Info

ID:	364646
PubChem CID:	127315941
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-96.4
Dipole, Da:	4.39
IP(EA), eV:	-9.09(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-benzofuran-3-carbonyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)C3=COC4=CC=CC=C43

DOS

IR

Vibrations