Geometry & MOs

Info

ID:	166357
PubChem CID:	74676710
Reduced:	ON3C22H37 (1)
Stoich.:	AB3C22D37 (1)
Weight, g/mol:	363.101919
ΔH_f, kcal/mol:	-11.2
Dipole, Da:	19.37
IP(EA), eV:	-6.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(3-fluorophenoxy)pyridin-3-yl]methyl]-4aH-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCC(CC2)C[NH+]3CCCCCC3

DOS

IR

Vibrations