Geometry & MOs

Info

ID:	138479
PubChem CID:	52370875
Reduced:	FN2O3C15H24 (1)
Stoich.:	AB2C3D15E24 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-130.47
Dipole, Da:	4.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753767
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(3R)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]methyl]phthalazin-1-one

Drug info:

PubChemData

Smile

COCC[NH+](CCC(=O)NC1=CC=CC=C1F)CCOC

DOS

IR

Vibrations