Geometry & MOs

Info

ID:	49778
PubChem CID:	11533816
Reduced:	BrFO3N7H19C22 (1)
Stoich.:	ABC3D7E19F22 (1)
Weight, g/mol:	527.07322
ΔH_f, kcal/mol:	58.68
Dipole, Da:	7.24
IP(EA), eV:	-9.2(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[4-[2-(5-bromoindol-1-yl)ethoxy]phenyl]-2-naphthalen-2-yloxyprop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC(=C(C=C2)OC3=CC=C(C=C3)F)[N+](=O)[O-])C4=NC=NC5=NNC(=C54)Br

DOS

IR

Vibrations