Geometry & MOs

Info

ID:	444490
PubChem CID:	135262623
Reduced:	N2O2C7H14 (1)
Stoich.:	A2B2C7D14 (1)
Weight, g/mol:	627.278087
ΔH_f, kcal/mol:	-100.46
Dipole, Da:	3.65
IP(EA), eV:	-9.31(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCC(=O)OC1CNCCN1

DOS

IR

Vibrations