Geometry & MOs

Info

ID:	155901
PubChem CID:	56368226
Reduced:	O3N4C28H28 (1)
Stoich.:	A3B4C28D28 (1)
Weight, g/mol:	435.169525
ΔH_f, kcal/mol:	-5.71
Dipole, Da:	6.31
IP(EA), eV:	-8.75(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-benzyl-5-(2-methylphenyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4)CC5=CC=CC=C5

DOS

IR

Vibrations