Geometry & MOs

Info

ID:	344553
PubChem CID:	127268137
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-50.54
Dipole, Da:	6.93
IP(EA), eV:	-8.92(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=N1)SC(=N2)CN3CCN(CC3)C(=O)CC4CCCCC4

DOS

IR

Vibrations