Geometry & MOs

Info

ID:	435020
PubChem CID:	135177627
Reduced:	O2N3C29H39 (1)
Stoich.:	A2B3C29D39 (1)
Weight, g/mol:	525.189371
ΔH_f, kcal/mol:	-76.52
Dipole, Da:	3.6
IP(EA), eV:	-8.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1'-[1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-7-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCCCC1CCCCN1CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC=C(C=C4)C)C=C2

DOS

IR

Vibrations