Geometry & MOs

Info

ID:	170225
PubChem CID:	75209215
Reduced:	N2O2C6H7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	430.111104
ΔH_f, kcal/mol:	-116.09
Dipole, Da:	4.81
IP(EA), eV:	-9.8(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CN1C(CC(=O)N(C1=O)C)COC(=O)C2=NC=CN=C2

DOS

IR

Vibrations