Geometry & MOs

Info

ID:	367835
PubChem CID:	127325943
Reduced:	ON6C21H32 (1)
Stoich.:	AB6C21D32 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	5.82
Dipole, Da:	6.27
IP(EA), eV:	-8.62(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methylcyclohexyl)piperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=C(N(N=C4C)C)C

DOS

IR

Vibrations