Geometry & MOs

Info

ID:	230285
PubChem CID:	87570580
Reduced:	NNaSF2O5C13H19 (1)
Stoich.:	ABCD2E5F13G19 (1)
Weight, g/mol:	317.073118
ΔH_f, kcal/mol:	-385.43
Dipole, Da:	12.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772420
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-8-fluorophthalazin-1-yl)-(4-methoxyphenyl)methanamine

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(C(NC(=O)O)(F)F)S(=O)(=O)O.[Na]

DOS

IR

Vibrations