Geometry & MOs

Info

ID:	413677
PubChem CID:	135086626
Reduced:	BrN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	334.131742
ΔH_f, kcal/mol:	35.34
Dipole, Da:	7.96
IP(EA), eV:	-8.41(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z)-2-(hydroxyamino)-2-[2-[(E)-1-phenylprop-1-enyl]indol-3-ylidene]acetate

Drug info:

PubChemData

Smile

CC(C)(C)N/C=C\1/C2=CC=CC=C2N=C1Br

DOS

IR

Vibrations