Geometry & MOs

Info

ID:	58245
PubChem CID:	24434860
Reduced:	ClO3N5H16C24 (1)
Stoich.:	AB3C5D16E24 (1)
Weight, g/mol:	462.150347
ΔH_f, kcal/mol:	52.5
Dipole, Da:	5.5
IP(EA), eV:	-8.72(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-[(E)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NNC4=C5C=C(C=CC5=NC4=O)Cl

DOS

IR

Vibrations