Geometry & MOs

Info

ID:	137295
PubChem CID:	52185149
Reduced:	NF3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	232.144987
ΔH_f, kcal/mol:	-281.11
Dipole, Da:	1.99
IP(EA), eV:	-8.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(6-ethyl-4-oxoquinazolin-3-yl)propylazanium

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1OC(F)(F)F)C(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations