Geometry & MOs

Info

ID:	156266
PubChem CID:	56369892
Reduced:	SO3N4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	0.2
Dipole, Da:	4.82
IP(EA), eV:	-8.44(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(C3)C(=O)C)C4=CC=CC=C4

DOS

IR

Vibrations