Geometry & MOs

Info

ID:	57768
PubChem CID:	24277195
Reduced:	OSN2C13H22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	282.149891
ΔH_f, kcal/mol:	-34.61
Dipole, Da:	0.62
IP(EA), eV:	-8.78(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-aminopiperidin-1-yl)-1-(4-chlorophenyl)butan-1-ol

Drug info:

PubChemData

Smile

C1CN(CCC1N)CCCC(C2=CC=CS2)O

DOS

IR

Vibrations