Geometry & MOs

Info

ID:	191925
PubChem CID:	78202385
Reduced:	N6O7C20H34 (1)
Stoich.:	A6B7C20D34 (1)
Weight, g/mol:	258.132805
ΔH_f, kcal/mol:	-338.88
Dipole, Da:	1.76
IP(EA), eV:	-10.12(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 3-[(3,5-dioxo-1,2,4-triazinan-6-yl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(C(C)C=C)C(=O)O)NC(=O)C(CC(=O)N)N

DOS

IR

Vibrations