Geometry & MOs

Info

ID:	9074
PubChem CID:	85827
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-85.25
Dipole, Da:	3.63
IP(EA), eV:	-9.82(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzylamino)-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C=CC(=O)O

DOS

IR

Vibrations