Geometry & MOs

Info

ID:	312908
PubChem CID:	126609707
Reduced:	BrO2H13C24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	47.56
Dipole, Da:	2.81
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[1-[1-(4-cyanophenyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC(=C4C(=C3O2)C5=CC=CC=C5O4)C6=CC=C(C=C6)Br

DOS

IR

Vibrations