Geometry & MOs

Info

ID:	173153
PubChem CID:	75604182
Reduced:	N2O2F3C17H23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	541.142047
ΔH_f, kcal/mol:	-221.28
Dipole, Da:	2.99
IP(EA), eV:	-8.7(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-5-[2,4-dioxo-5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]-1,3-diazinan-1-yl]oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N2C(CC3=C(C(C1N32)(C)C)C)(C)C(F)(F)F)C

DOS

IR

Vibrations