Geometry & MOs

Info

ID:	295066
PubChem CID:	117514538
Reduced:	BrO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	338.09938
ΔH_f, kcal/mol:	-121.88
Dipole, Da:	5.0
IP(EA), eV:	-9.74(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC(=C(C=C2)C3CCOC3)Br)C(=O)O

DOS

IR

Vibrations