Geometry & MOs

Info

ID:	261424
PubChem CID:	103233117
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-167.74
Dipole, Da:	5.01
IP(EA), eV:	-9.4(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-propan-2-ylanilino)propanoic acid

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NCC(CC(=O)O)O

DOS

IR

Vibrations