Geometry & MOs

Info

ID:	367544
PubChem CID:	127324912
Reduced:	SN2O3C16H28 (1)
Stoich.:	AB2C3D16E28 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-154.27
Dipole, Da:	5.54
IP(EA), eV:	-8.83(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylcyclohexyl)piperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations