Geometry & MOs

Info

ID:	230178
PubChem CID:	87570361
Reduced:	ON3C8H8 (2)
Stoich.:	AB3C8D8 (2)
Weight, g/mol:	317.073118
ΔH_f, kcal/mol:	29.72
Dipole, Da:	3.45
IP(EA), eV:	-8.3(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-fluoro-N-[(4-methoxyphenyl)methyl]phthalazin-1-amine

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2N/C(=C\4/C=CC=CC4=O)/C=N3)N

DOS

IR

Vibrations