Geometry & MOs

Info

ID:	194702
PubChem CID:	78577870
Reduced:	FO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-80.62
Dipole, Da:	4.33
IP(EA), eV:	-8.08(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-benzyl-3-ethylquinazoline-1,3-diium-2,4-diol

Drug info:

PubChemData

Smile

CC1=C(C(C2=C(N1)[N+](=C([N+](=C2O)C)O)C)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations