Geometry & MOs

Info

ID:	344530
PubChem CID:	127268114
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-74.12
Dipole, Da:	1.96
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)CC(=O)NC3=NC4=C(S3)CCC4

DOS

IR

Vibrations