Geometry & MOs

Info

ID:	167079
PubChem CID:	74777855
Reduced:	ClN2O5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	409.232519
ΔH_f, kcal/mol:	-96.44
Dipole, Da:	2.63
IP(EA), eV:	-8.82(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[1-(1,3-dimethyl-2,6-dioxo-1,3-diazinane-4-carbonyl)piperidin-3-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OC)NC(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)Cl)OC

DOS

IR

Vibrations