Geometry & MOs

Info

ID:	296183
PubChem CID:	117559370
Reduced:	BrFN2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	223.11209
ΔH_f, kcal/mol:	-2.5
Dipole, Da:	4.29
IP(EA), eV:	-8.12(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-6-fluorophenyl)piperazine-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC2=CC(=C(C=C2)N)F

DOS

IR

Vibrations