Geometry & MOs

Info

ID:	213800
PubChem CID:	81065018
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	231.121906
ΔH_f, kcal/mol:	-120.6
Dipole, Da:	2.15
IP(EA), eV:	-9.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(carbamoylamino)propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations