Geometry & MOs

Info

ID:	413693
PubChem CID:	135086642
Reduced:	BrN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-24.8
Dipole, Da:	6.67
IP(EA), eV:	-8.79(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-cyano-1H-indol-3-yl)butan-2-ylideneamino] acetate

Drug info:

PubChemData

Smile

CC(CC(=NOC(=O)C)C)C1=CNC2=C1C=C(C=C2)Br

DOS

IR

Vibrations