Geometry & MOs

Info

ID:	213315
PubChem CID:	81063433
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	272.173607
ΔH_f, kcal/mol:	-133.05
Dipole, Da:	3.75
IP(EA), eV:	-9.12(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2,2-dimethylpropanoylamino)propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCN1C=CC=C1C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations