Geometry & MOs

Info

ID:	181748
PubChem CID:	76788809
Reduced:	N2O2F3C18H21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	285.06689
ΔH_f, kcal/mol:	-226.69
Dipole, Da:	5.37
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(benzylamino)-4-chloro-8aH-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1C2CC(CCC2C(=O)NN1)C(=O)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations