Geometry & MOs

Info

ID:	407272
PubChem CID:	135079721
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	295.120843
ΔH_f, kcal/mol:	-70.78
Dipole, Da:	7.98
IP(EA), eV:	-10.02(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzylamino)-2-benzylidene-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CC1/C=C(/C(=O)O)\NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations