Geometry & MOs

Info

ID:	244901
PubChem CID:	99431558
Reduced:	O2F3N6C19H21 (1)
Stoich.:	A2B3C6D19E21 (1)
Weight, g/mol:	422.167808
ΔH_f, kcal/mol:	-162.97
Dipole, Da:	8.9
IP(EA), eV:	-9.23(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)N)C)CC(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations