Geometry & MOs

Info

ID:	441966
PubChem CID:	135247206
Reduced:	OF2N5H23C36 (1)
Stoich.:	AB2C5D23E36 (1)
Weight, g/mol:	470.210661
ΔH_f, kcal/mol:	84.66
Dipole, Da:	5.33
IP(EA), eV:	-9.65(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-aminophenoxy)methyl]phenyl]-N'-(benzenecarboximidoyl)naphthalene-2-carboximidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)C5=C(C4(F)F)C=C(C=C5)C(=N)OC(=N)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations