Geometry & MOs

Info

ID:	149728
PubChem CID:	53789403
Reduced:	NOH6C10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	303.110673
ΔH_f, kcal/mol:	75.31
Dipole, Da:	5.09
IP(EA), eV:	-9.16(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-carboxyethenyl)benzoyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)OC2=CC=C(C=C2)OC3=CC=CC=C3C#N

DOS

IR

Vibrations