Geometry & MOs

Info

ID:	54721
PubChem CID:	17389158
Reduced:	OF3N3H10C15 (1)
Stoich.:	AB3C3D10E15 (1)
Weight, g/mol:	412.05349
ΔH_f, kcal/mol:	-102.26
Dipole, Da:	4.3
IP(EA), eV:	-8.78(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-4-[2-[(Z)-indol-3-ylidenemethyl]hydrazinyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

C1=C/C(=C\NC2=CC3=C(C=C2)N=C(N3)C(F)(F)F)/C(=O)C=C1

DOS

IR

Vibrations