Geometry & MOs

Info

ID:	367532
PubChem CID:	127324892
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	342.197714
ΔH_f, kcal/mol:	65.48
Dipole, Da:	6.82
IP(EA), eV:	-9.59(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothian-4-yl)-[4-(4-methylcyclohexyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC1CN(CC2CC2)C(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations