Geometry & MOs

Info

ID:	56202
PubChem CID:	17422525
Reduced:	FNO3H7C8 (2)
Stoich.:	ABC3D7E8 (2)
Weight, g/mol:	376.13176
ΔH_f, kcal/mol:	-226.97
Dipole, Da:	8.86
IP(EA), eV:	-9.66(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-butyl-5-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)COC2=CC=CC=C2C(=O)N)[N+](=O)[O-])OC(F)F

DOS

IR

Vibrations