Geometry & MOs

Info

ID:	202907
PubChem CID:	79743289
Reduced:	BrFNC16H23 (1)
Stoich.:	ABCD16E23 (1)
Weight, g/mol:	316.99639
ΔH_f, kcal/mol:	-53.5
Dipole, Da:	2.08
IP(EA), eV:	-9.23(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-2-fluorophenyl)phthalazin-1-amine

Drug info:

PubChemData

Smile

CCC1CCCC(C1)C(C2=C(C=CC(=C2)Br)F)NC

DOS

IR

Vibrations