Geometry & MOs

Info

ID:	197227
PubChem CID:	78939074
Reduced:	BrNOSC13H18 (1)
Stoich.:	ABCDE13F18 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-32.16
Dipole, Da:	2.31
IP(EA), eV:	-8.95(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)SC2CCOCC2)Br)N

DOS

IR

Vibrations