Geometry & MOs

Info

ID:	54697
PubChem CID:	17389119
Reduced:	OF3N3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	401.0539
ΔH_f, kcal/mol:	-111.39
Dipole, Da:	3.37
IP(EA), eV:	-9.22(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3-bromo-4-fluorophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide

Drug info:

PubChemData

Smile

CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C(F)(F)F

DOS

IR

Vibrations