Geometry & MOs

Info

ID:	222875
PubChem CID:	85332837
Reduced:	BrON6C30H35 (1)
Stoich.:	ABC6D30E35 (1)
Weight, g/mol:	574.31552
ΔH_f, kcal/mol:	73.54
Dipole, Da:	2.69
IP(EA), eV:	-8.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4)C5=C(C=CC=C5Br)C(C)C

DOS

IR

Vibrations