Geometry & MOs

Info

ID:	178627
PubChem CID:	76358316
Reduced:	NO2F3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	432.178413
ΔH_f, kcal/mol:	-188.08
Dipole, Da:	3.77
IP(EA), eV:	-8.81(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(5-tert-butyl-2-pyrimidin-2-ylpyrazol-3-yl)-3-(1,4-dioxophthalazin-2-ium-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNC(=O)C=C(C2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations