Geometry & MOs

Info

ID:	186083
PubChem CID:	77388646
Reduced:	ClN5O6C23H24 (1)
Stoich.:	AB5C6D23E24 (1)
Weight, g/mol:	267.096754
ΔH_f, kcal/mol:	-133.8
Dipole, Da:	4.93
IP(EA), eV:	-9.01(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2,6-dioxo-4-pyrazol-1-yl-1,3,5-triazinan-1-yl)acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(NC(=O)N(C2=O)CCOCCO)NC3=CC=C(C=C3)OC4=NOC=C4)Cl

DOS

IR

Vibrations