Geometry & MOs

Info

ID:	12303
PubChem CID:	134370
Reduced:	N2O3C27H28 (1)
Stoich.:	A2B3C27D28 (1)
Weight, g/mol:	428.209993
ΔH_f, kcal/mol:	-65.74
Dipole, Da:	9.1
IP(EA), eV:	-9.14(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-[[phenyl-(2-piperidin-1-ylphenyl)methyl]amino]ethyl]benzoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=CC=C2C(C3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations