Geometry & MOs

Info

ID:	25406
PubChem CID:	624360
Reduced:	BrNO3H6C11 (1)
Stoich.:	ABC3D6E11 (1)
Weight, g/mol:	349.064981
ΔH_f, kcal/mol:	-45.75
Dipole, Da:	2.1
IP(EA), eV:	-9.57(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(furan-2-yl)-8-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=O)O1)OC3=C2C=C(C=C3)Br

DOS

IR

Vibrations