Geometry & MOs

Info

ID:	374576
PubChem CID:	131331676
Reduced:	BrNOF2C8H8 (1)
Stoich.:	ABCD2E8F8 (1)
Weight, g/mol:	260.03244
ΔH_f, kcal/mol:	-135.56
Dipole, Da:	4.76
IP(EA), eV:	-8.8(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-fluoro-3-methylphenyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1Br)N)OC(F)F

DOS

IR

Vibrations