Geometry & MOs

Info

ID:	383172
PubChem CID:	134974744
Reduced:	NF5H9C17 (2)
Stoich.:	AB5C9D17 (2)
Weight, g/mol:	563.249035
ΔH_f, kcal/mol:	-292.19
Dipole, Da:	6.52
IP(EA), eV:	-8.98(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-[(1R)-1-phenylethyl]phthalazin-1-amine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)N=CC5=C(C(=C(C(=C5F)F)F)F)F)N=CC6=C(C(=C(C(=C6F)F)F)F)F

DOS

IR

Vibrations