Geometry & MOs

Info

ID:	1032
PubChem CID:	3689
Reduced:	NO2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	325.204179
ΔH_f, kcal/mol:	-66.01
Dipole, Da:	2.69
IP(EA), eV:	-8.74(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol

Drug info:

PubChemData

Smile

CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations