Geometry & MOs

Info

ID:	63269
PubChem CID:	26750420
Reduced:	NO5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	482.198777
ΔH_f, kcal/mol:	-195.08
Dipole, Da:	2.12
IP(EA), eV:	-8.42(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-2-ethylphthalazin-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCCCC1)OC(=O)/C=C/C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations