Geometry & MOs

Info

ID:	383589
PubChem CID:	134975388
Reduced:	BrN8C26H45 (1)
Stoich.:	AB8C26D45 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	40.0
Dipole, Da:	6.25
IP(EA), eV:	-8.04(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3R,6S)-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-6-(methylamino)hept-4-en-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCCNCCCNCCNC2=CC(=CC=C2)Br)NCCNCCCNCCN

DOS

IR

Vibrations