Geometry & MOs

Info

ID:	344569
PubChem CID:	127268153
Reduced:	SN3O4C18H31 (1)
Stoich.:	AB3C4D18E31 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-204.76
Dipole, Da:	3.71
IP(EA), eV:	-9.25(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)CC(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations