Geometry & MOs

Info

ID:	194981
PubChem CID:	78617018
Reduced:	ClF2O2N4H13C16 (1)
Stoich.:	AB2C2D4E13F16 (1)
Weight, g/mol:	379.03317
ΔH_f, kcal/mol:	-76.85
Dipole, Da:	4.61
IP(EA), eV:	-8.83(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyanilino)acetamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=NNC2=NC3=CC=CC=C3N2)Cl)OC(F)F

DOS

IR

Vibrations