Geometry & MOs

Info

ID:	183889
PubChem CID:	77087386
Reduced:	ON3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	4.85
IP(EA), eV:	-8.69(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-(3-pyridin-2-ylpropyl)-3H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C2=CC=CC=C2N=C1CN3CCC(C3)COC

DOS

IR

Vibrations