Geometry & MOs

Info

ID:	335545
PubChem CID:	127254407
Reduced:	O2N5C26H35 (1)
Stoich.:	A2B5C26D35 (1)
Weight, g/mol:	408.202463
ΔH_f, kcal/mol:	-31.66
Dipole, Da:	4.9
IP(EA), eV:	-9.04(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)NCC2(CCCCC2)CC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations