Geometry & MOs

Info

ID:	157575
PubChem CID:	56435810
Reduced:	ClO3N5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	443.232125
ΔH_f, kcal/mol:	25.63
Dipole, Da:	5.84
IP(EA), eV:	-9.5(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-4-oxo-3-phenylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=NN(C(=C2)C3=CC=CO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations