Geometry & MOs

Info

ID:	406993
PubChem CID:	135079085
Reduced:	BBrO2N3F4H5C7 (1)
Stoich.:	ABC2D3E4F5G7 (1)
Weight, g/mol:	331.141973
ΔH_f, kcal/mol:	-254.96
Dipole, Da:	13.24
IP(EA), eV:	-11.33(-3.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (Z,4E)-3-hydroxy-4-(5-methoxy-1-methyl-2-oxoindol-3-ylidene)but-2-enoate

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC1=CC(=CC(=C1[N+]#N)[N+](=O)[O-])Br

DOS

IR

Vibrations