Geometry & MOs

Info

ID:	337881
PubChem CID:	127258504
Reduced:	N2O6C11H16 (1)
Stoich.:	A2B6C11D16 (1)
Weight, g/mol:	255.147058
ΔH_f, kcal/mol:	-208.3
Dipole, Da:	5.23
IP(EA), eV:	-10.58(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-oxocyclohexanecarbonyl)amino]ethyl butanoate

Drug info:

PubChemData

Smile

CCC(C(=O)N(C(C)CC(=O)O)OCC#N)C(=O)O

DOS

IR

Vibrations