Geometry & MOs

Info

ID:	147087
PubChem CID:	53786740
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-97.08
Dipole, Da:	5.5
IP(EA), eV:	-8.11(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanoanilino)-2-(3-ethoxy-5-piperidin-4-yloxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C(=O)C2=C(O1)C=C(C=C2)C)O

DOS

IR

Vibrations