Geometry & MOs

Info

ID:	154512
PubChem CID:	56313968
Reduced:	FN3O4H20C23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	492.162054
ΔH_f, kcal/mol:	-84.94
Dipole, Da:	5.35
IP(EA), eV:	-9.35(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N'-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations