Geometry & MOs

Info

ID:	322226
PubChem CID:	126669265
Reduced:	ON2F3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	734.444744
ΔH_f, kcal/mol:	-115.65
Dipole, Da:	3.7
IP(EA), eV:	-9.63(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-4-[4-[hydroxy-[4-[4-[hydroxy(diphenyl)methyl]piperidin-2-yl]phenyl]-phenylmethyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)C(F)(F)F

DOS

IR

Vibrations