Geometry & MOs

Info

ID:	282778
PubChem CID:	103938677
Reduced:	ON2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-49.68
Dipole, Da:	4.78
IP(EA), eV:	-8.31(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(4-butan-2-ylpiperazin-1-yl)pyridin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)N2CCCC(C2C)C)O

DOS

IR

Vibrations