Geometry & MOs

Info

ID:	24922
PubChem CID:	614606
Reduced:	BrNO4C35H48 (1)
Stoich.:	ABC4D35E48 (1)
Weight, g/mol:	625.27667
ΔH_f, kcal/mol:	-192.2
Dipole, Da:	2.72
IP(EA), eV:	-8.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(6-bromophenanthren-9-yl)-2-(diheptylamino)ethoxy]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCN(CCCCCCC)CC(C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)OC(=O)CCCC(=O)O

DOS

IR

Vibrations