Geometry & MOs

Info

ID:	213098
PubChem CID:	81062849
Reduced:	N2O4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	243.183444
ΔH_f, kcal/mol:	-142.18
Dipole, Da:	4.01
IP(EA), eV:	-10.04(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethylhexanoylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations