Geometry & MOs

Info

ID:	162152
PubChem CID:	57393774
Reduced:	ClON6C13H13 (1)
Stoich.:	ABC6D13E13 (1)
Weight, g/mol:	418.202321
ΔH_f, kcal/mol:	53.49
Dipole, Da:	3.17
IP(EA), eV:	-8.75(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC(=NC3=C2OC4=C3C=C(C=N4)Cl)N

DOS

IR

Vibrations