Geometry & MOs

Info

ID:	362423
PubChem CID:	127307768
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	393.237604
ΔH_f, kcal/mol:	-25.86
Dipole, Da:	7.29
IP(EA), eV:	-8.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2,4-dioxo-1,3-diazinan-1-yl)acetyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCC(C3)N4CCCCC4

DOS

IR

Vibrations