Geometry & MOs

Info

ID:	244103
PubChem CID:	99313666
Reduced:	O2F3N3H14C18 (1)
Stoich.:	A2B3C3D14E18 (1)
Weight, g/mol:	453.160103
ΔH_f, kcal/mol:	-151.87
Dipole, Da:	5.58
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC(=C1NC(=O)C2=CC(=CC=C2)OC(F)F)C3=CC=C(C=C3)F

DOS

IR

Vibrations