Geometry & MOs

Info

ID:	379123
PubChem CID:	134352550
Reduced:	NO2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	478.212651
ΔH_f, kcal/mol:	-182.96
Dipole, Da:	3.44
IP(EA), eV:	-9.87(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(1R)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]-2,7-diazaspiro[4.4]nonan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1CC(=O)N(C1=O)CCNC(=O)COC

DOS

IR

Vibrations