Geometry & MOs

Info

ID:	167845
PubChem CID:	74886436
Reduced:	N4O5C9H14 (1)
Stoich.:	A4B5C9D14 (1)
Weight, g/mol:	230.101505
ΔH_f, kcal/mol:	-184.67
Dipole, Da:	5.77
IP(EA), eV:	-9.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dioxo-1,2,4-triazinan-6-yl)-methylamino]butanoic acid

Drug info:

PubChemData

Smile

COC1CC(N(C1)C2C(=O)NC(=O)NN2)C(=O)O

DOS

IR

Vibrations