Geometry & MOs

Info

ID:	194218
PubChem CID:	78500675
Reduced:	F2N2O5H18C20 (1)
Stoich.:	A2B2C5D18E20 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-248.46
Dipole, Da:	5.04
IP(EA), eV:	-8.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-4-[4-(4-oxo-4aH-quinazolin-2-yl)butanoylamino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations