Geometry & MOs

Info

ID:	169943
PubChem CID:	75170738
Reduced:	NPO11C34H50 (1)
Stoich.:	ABC11D34E50 (1)
Weight, g/mol:	434.06636
ΔH_f, kcal/mol:	-549.94
Dipole, Da:	3.73
IP(EA), eV:	-8.73(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(8-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-(5-bromothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1OC(=O)CP(=O)(OCCCCCCCCCCCOC2=CC=CC=C2)OCC3=CC=CC=C3)CO)O)O

DOS

IR

Vibrations