Geometry & MOs

Info

ID:	213419
PubChem CID:	81063646
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	-118.11
Dipole, Da:	5.01
IP(EA), eV:	-10.13(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(3-propoxypropanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CC1=CN=CC=C1

DOS

IR

Vibrations