Geometry & MOs

Info

ID:	283714
PubChem CID:	104000864
Reduced:	N3O4C13H21 (1)
Stoich.:	A3B4C13D21 (1)
Weight, g/mol:	257.173942
ΔH_f, kcal/mol:	-162.49
Dipole, Da:	6.68
IP(EA), eV:	-9.76(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[cyclopropyl(ethyl)amino]ethylcarbamoylamino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CNC(=O)N(CC(=O)O)C2CC2

DOS

IR

Vibrations