Geometry & MOs

Info

ID:	267877
PubChem CID:	103590063
Reduced:	BrFN2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	322.04809
ΔH_f, kcal/mol:	-2.87
Dipole, Da:	4.16
IP(EA), eV:	-8.68(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)N(C)CC2=CC(=CC=C2)Br

DOS

IR

Vibrations