Geometry & MOs

Info

ID:	82295
PubChem CID:	49855862
Reduced:	ClLiNOC12H17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	650.186113
ΔH_f, kcal/mol:	-79.84
Dipole, Da:	6.79
IP(EA), eV:	-8.54(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)ethylamino]methyl]furan-2-yl]quinazolin-4-amine

Drug info:

PubChemData

Smile

[Li+].CC(C)(C)NCC(C1=CC=CC=C1Cl)[O-]

DOS

IR

Vibrations