Geometry & MOs

Info

ID:	373012
PubChem CID:	131308574
Reduced:	INOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-7.58
Dipole, Da:	1.86
IP(EA), eV:	-8.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1I)N2CCOCC2

DOS

IR

Vibrations