Geometry & MOs

Info

ID:	140401
PubChem CID:	52692188
Reduced:	N2F3O3H25C26 (1)
Stoich.:	A2B3C3D25E26 (1)
Weight, g/mol:	359.126991
ΔH_f, kcal/mol:	-230.18
Dipole, Da:	4.27
IP(EA), eV:	-8.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-naphthalen-1-yloxyethyl)-4-oxo-3H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCOC2=CC=CC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations