Geometry & MOs

Info

ID:	1944
PubChem CID:	5405
Reduced:	NO2C32H41 (1)
Stoich.:	AB2C32D41 (1)
Weight, g/mol:	471.31373
ΔH_f, kcal/mol:	-57.52
Dipole, Da:	2.74
IP(EA), eV:	-8.5(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

DOS

IR

Vibrations