Geometry & MOs

Info

ID:	260138
PubChem CID:	103182595
Reduced:	NO4C14H27 (1)
Stoich.:	AB4C14D27 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	-197.49
Dipole, Da:	2.58
IP(EA), eV:	-8.87(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-3,5-dimethylpyridin-2-yl)methyl]phthalazin-1-one

Drug info:

PubChemData

Smile

COCCCOCCN1CCCCC1CC(=O)OC

DOS

IR

Vibrations