Geometry & MOs

Info

ID:	221124
PubChem CID:	85256916
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	8.03
Dipole, Da:	9.96
IP(EA), eV:	-8.49(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-anilino-3-methyl-5-phenylpent-2-enoic acid

Drug info:

PubChemData

Smile

CN1C=CC(=C(C1=O)C#N)C=CNC2=CC=C(C=C2)OC

DOS

IR

Vibrations