Geometry & MOs

Info

ID:	127051
PubChem CID:	50988450
Reduced:	N2Cl3O3H15C19 (1)
Stoich.:	A2B3C3D15E19 (1)
Weight, g/mol:	256.097855
ΔH_f, kcal/mol:	-70.96
Dipole, Da:	6.87
IP(EA), eV:	-8.87(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride

Drug info:

PubChemData

Smile

COC(=N)/C(=C\1/C(=O)C(=C(O1)N)C2=CC=C(C=C2)Cl)/C3=CC=C(C=C3)Cl.Cl

DOS

IR

Vibrations