Geometry & MOs

Info

ID:	123544
PubChem CID:	50853316
Reduced:	ClNOC22H28 (1)
Stoich.:	ABCD22E28 (1)
Weight, g/mol:	306.126569
ΔH_f, kcal/mol:	-34.89
Dipole, Da:	3.56
IP(EA), eV:	-9.07(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol;dihydrochloride

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2CN3CCC2CC3)(C4=CC=CC=C4C)O.Cl

DOS

IR

Vibrations