Geometry & MOs

Info

ID:	57769
PubChem CID:	24277204
Reduced:	ClON2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	326.09938
ΔH_f, kcal/mol:	-49.52
Dipole, Da:	2.03
IP(EA), eV:	-8.86(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1N)CCCC(C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations