Geometry & MOs

Info

ID:	339528
PubChem CID:	127261518
Reduced:	N3O5C9H17 (1)
Stoich.:	A3B5C9D17 (1)
Weight, g/mol:	267.125929
ΔH_f, kcal/mol:	-233.33
Dipole, Da:	8.0
IP(EA), eV:	-10.05(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(E)-2-(4-methylphenyl)ethenyl]anilino]acetic acid

Drug info:

PubChemData

Smile

C(C[C@@H](C(=O)NCC(=O)O)N)C[C@H](C(=O)O)N

DOS

IR

Vibrations