Geometry & MOs

Info

ID:	67298
PubChem CID:	46506234
Reduced:	F3N4O5H27C29 (1)
Stoich.:	A3B4C5D27E29 (1)
Weight, g/mol:	555.285698
ΔH_f, kcal/mol:	-288.23
Dipole, Da:	10.82
IP(EA), eV:	-8.69(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]hexanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)OC

DOS

IR

Vibrations