Geometry & MOs

Info

ID:	342770
PubChem CID:	127265933
Reduced:	ON8C14H16 (1)
Stoich.:	AB8C14D16 (1)
Weight, g/mol:	342.166746
ΔH_f, kcal/mol:	92.36
Dipole, Da:	7.66
IP(EA), eV:	-8.96(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1,1,1-trifluoro-4-methyl-3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]pentan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)N1C=NC(=N1)C(=O)NC2=CN=CN=C2N3C=CC=N3

DOS

IR

Vibrations