Geometry & MOs

Info

ID:	267933
PubChem CID:	103590446
Reduced:	FON3C15H24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	324.02735
ΔH_f, kcal/mol:	-95.04
Dipole, Da:	4.48
IP(EA), eV:	-8.22(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(3-bromo-4-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)N2CCN(CC2)CC(C)(C)O

DOS

IR

Vibrations