Geometry & MOs

Info

ID:	173376
PubChem CID:	75630532
Reduced:	ClF3N4O6C25H36 (1)
Stoich.:	AB3C4D6E25F36 (1)
Weight, g/mol:	541.171474
ΔH_f, kcal/mol:	-445.12
Dipole, Da:	5.5
IP(EA), eV:	-9.11(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[5-(4-chlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(C1CCCNC1)C(=O)C2=CC3=C(C=C2C(F)(F)F)OC(C(=O)N3CCNC(=O)OC)(C)COC.Cl

DOS

IR

Vibrations