Geometry & MOs

Info

ID:	161753
PubChem CID:	57392547
Reduced:	FO2N4C30H31 (1)
Stoich.:	AB2C4D30E31 (1)
Weight, g/mol:	522.299476
ΔH_f, kcal/mol:	-52.58
Dipole, Da:	3.7
IP(EA), eV:	-8.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCCN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)F

DOS

IR

Vibrations