Geometry & MOs

Info

ID:	413692
PubChem CID:	135086641
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	336.04734
ΔH_f, kcal/mol:	-19.99
Dipole, Da:	0.45
IP(EA), eV:	-8.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-bromo-1H-indol-3-yl)pentan-2-ylideneamino] acetate

Drug info:

PubChemData

Smile

CC(=NOC(=O)C)CCC1=CNC2=C1C=C(C=C2)Br

DOS

IR

Vibrations