Geometry & MOs

Info

ID:	55521
PubChem CID:	17395497
Reduced:	FS2N6H13C14 (1)
Stoich.:	AB2C6D13E14 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	60.57
Dipole, Da:	2.55
IP(EA), eV:	-8.71(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,3-dimethyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

DOS

IR

Vibrations