Geometry & MOs

Info

ID:	165887
PubChem CID:	74609753
Reduced:	O3N5C19H27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	431.1331
ΔH_f, kcal/mol:	-79.75
Dipole, Da:	5.06
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-propan-2-yl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-4aH-quinazolin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC(C)CNC1=NC2C(N1CCCOC3=CC=CC=C3)C(=O)NC(=O)N2C

DOS

IR

Vibrations