Geometry & MOs

Info

ID:	149668
PubChem CID:	53789342
Reduced:	N2F3O5H15C20 (1)
Stoich.:	A2B3C5D15E20 (1)
Weight, g/mol:	553.197964
ΔH_f, kcal/mol:	-273.25
Dipole, Da:	8.88
IP(EA), eV:	-9.36(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-[1-(2-chlorophenyl)-2-piperidin-1-ylethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(CC(=O)C(C#N)C(=O)NC3=CC=C(C=C3)C(F)(F)F)O

DOS

IR

Vibrations