Geometry & MOs

Info

ID:	11998
PubChem CID:	125748
Reduced:	N3O5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	281.101171
ΔH_f, kcal/mol:	-179.49
Dipole, Da:	4.65
IP(EA), eV:	-9.55(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4S)-4-amino-4-carboxybutanoyl]hydrazinyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)NNC(=O)CC[C@@H](C(=O)O)N

DOS

IR

Vibrations