Geometry & MOs

Info

ID:	251358
PubChem CID:	103103400
Reduced:	N3O4C11H21 (1)
Stoich.:	A3B4C11D21 (1)
Weight, g/mol:	287.148121
ΔH_f, kcal/mol:	-206.44
Dipole, Da:	1.97
IP(EA), eV:	-9.62(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]methyl]oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)N(CC)CC(=O)N

DOS

IR

Vibrations