Geometry & MOs

Info

ID:	367068
PubChem CID:	127323053
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	355.100457
ΔH_f, kcal/mol:	-70.16
Dipole, Da:	2.14
IP(EA), eV:	-8.64(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-7-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCC(CC3)NC(=O)C4CCCCC4

DOS

IR

Vibrations