Geometry & MOs

Info

ID:	282767
PubChem CID:	103938228
Reduced:	SCl2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	31.15
Dipole, Da:	3.11
IP(EA), eV:	-8.88(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)SC2=CC(=C(C=C2)Cl)Cl)N

DOS

IR

Vibrations