Geometry & MOs

Info

ID:	336060
PubChem CID:	127255067
Reduced:	O3N4H20C26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	436.197377
ΔH_f, kcal/mol:	-17.48
Dipole, Da:	3.61
IP(EA), eV:	-8.13(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(4-pyrrol-1-yloxan-4-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=CC(=C2)NC(=O)CN3C4C5=CC=CC=C5C(=O)N4C6=CC=CC=C6C3=O

DOS

IR

Vibrations