Geometry & MOs

Info

ID:	265836
PubChem CID:	103553013
Reduced:	ClFO2N3C8H9 (1)
Stoich.:	ABC2D3E8F9 (1)
Weight, g/mol:	285.140804
ΔH_f, kcal/mol:	-120.9
Dipole, Da:	1.53
IP(EA), eV:	-8.44(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(4,4-dimethylazepan-1-yl)-5-fluorobenzene-1,3-diamine

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1N)Cl)F)NCC(=O)O)N

DOS

IR

Vibrations