Geometry & MOs

Info

ID:	15125
PubChem CID:	430108
Reduced:	NBr2O2C31H43 (1)
Stoich.:	AB2C2D31E43 (1)
Weight, g/mol:	621.16401
ΔH_f, kcal/mol:	-86.48
Dipole, Da:	4.34
IP(EA), eV:	-8.76(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,7-dibromo-10-methoxyphenanthren-9-yl)-2-(diheptylamino)ethanol

Drug info:

PubChemData

Smile

CCCCCCCN(CCCCCCC)CC(C1=C2C=C(C=CC2=C3C=CC(=CC3=C1OC)Br)Br)O

DOS

IR

Vibrations