Geometry & MOs

Info

ID:	184124
PubChem CID:	77113395
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	245.064785
ΔH_f, kcal/mol:	-30.87
Dipole, Da:	3.17
IP(EA), eV:	-9.07(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dioxo-1,3-diazinane-5-carbonyl)amino]-2-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N(C)CCC(=NO)N

DOS

IR

Vibrations