Geometry & MOs

Info

ID:	150402
PubChem CID:	53790091
Reduced:	ClFN2O2H18C20 (1)
Stoich.:	ABC2D2E18F20 (1)
Weight, g/mol:	414.251858
ΔH_f, kcal/mol:	-64.55
Dipole, Da:	4.33
IP(EA), eV:	-9.4(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-butyl-3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethoxy]-5-methyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NN2CC3=CC(=C(C=C3)F)Cl)C(=O)OC)C

DOS

IR

Vibrations