Geometry & MOs

Info

ID:	267876
PubChem CID:	103590003
Reduced:	FON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	322.04809
ΔH_f, kcal/mol:	-88.76
Dipole, Da:	1.75
IP(EA), eV:	-8.36(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(3-bromophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)N2CCOC(C2)(C)C

DOS

IR

Vibrations