Geometry & MOs

Info

ID:	265841
PubChem CID:	103553406
Reduced:	ClFON3C10H13 (1)
Stoich.:	ABCD3E10F13 (1)
Weight, g/mol:	261.104418
ΔH_f, kcal/mol:	-54.61
Dipole, Da:	4.32
IP(EA), eV:	-8.35(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,6-diamino-3-chloro-2-fluoroanilino)pentan-1-ol

Drug info:

PubChemData

Smile

C1CCON(C1)C2=C(C(=C(C=C2N)N)Cl)F

DOS

IR

Vibrations