Geometry & MOs

Info

ID:	56269
PubChem CID:	17422915
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	490.05619
ΔH_f, kcal/mol:	-95.91
Dipole, Da:	5.98
IP(EA), eV:	-9.07(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxynaphthalen-2-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations