Geometry & MOs

Info

ID:	351369
PubChem CID:	127280257
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-23.09
Dipole, Da:	5.87
IP(EA), eV:	-8.28(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4CCCC(C4)CC5=NOC(=N5)C

DOS

IR

Vibrations