Geometry & MOs

Info

ID:	66032
PubChem CID:	46488209
Reduced:	BrN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	434.12019
ΔH_f, kcal/mol:	-37.3
Dipole, Da:	4.85
IP(EA), eV:	-8.38(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-oxo-N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations