Geometry & MOs

Info

ID:	330131
PubChem CID:	127247118
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	309.122575
ΔH_f, kcal/mol:	26.05
Dipole, Da:	4.9
IP(EA), eV:	-8.62(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1C)C(=O)N3CCC(C3)C4=CC=NN4

DOS

IR

Vibrations