Geometry & MOs

Info

ID:	426548
PubChem CID:	135146165
Reduced:	FN4O4C22H27 (1)
Stoich.:	AB4C4D22E27 (1)
Weight, g/mol:	318.124739
ΔH_f, kcal/mol:	-185.49
Dipole, Da:	5.93
IP(EA), eV:	-8.83(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-piperazin-1-ylpyridin-3-yl)benzamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=N2)C3=C(C=C(C=C3)F)OC)C(=O)N

DOS

IR

Vibrations