Geometry & MOs

Info

ID:	371656
PubChem CID:	131270031
Reduced:	BrClNO3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	236.015724
ΔH_f, kcal/mol:	-32.93
Dipole, Da:	1.16
IP(EA), eV:	-10.41(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C=CC(=C1)Cl)[N+](=O)[O-])Br

DOS

IR

Vibrations