Geometry & MOs

Info

ID:	356811
PubChem CID:	127292351
Reduced:	FCl2N2O3C17H21 (1)
Stoich.:	AB2C2D3E17F21 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-177.8
Dipole, Da:	3.98
IP(EA), eV:	-9.63(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(oxan-3-ylmethyl)-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)CNC(=O)N2CCOC(C2)C3=CC(=C(C=C3Cl)Cl)F

DOS

IR

Vibrations