Geometry & MOs

Info

ID:	224581
PubChem CID:	85345046
Reduced:	NO4H7C14 (1)
Stoich.:	AB4C7D14 (1)
Weight, g/mol:	257.137556
ΔH_f, kcal/mol:	-45.59
Dipole, Da:	11.87
IP(EA), eV:	-9.65(-2.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(5-amino-2,4-dioxo-1,3-diazinan-1-yl)pentanoate

Drug info:

PubChemData

Smile

C=C1C=CC=C2C1=NC3=C(C(=O)OC(=O)C3=C2)C=O

DOS

IR

Vibrations