Geometry & MOs

Info

ID:	272994
PubChem CID:	103769993
Reduced:	NF3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	285.103731
ΔH_f, kcal/mol:	-235.89
Dipole, Da:	4.93
IP(EA), eV:	-9.57(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC=C2F)C(=O)NCC(C(F)F)O

DOS

IR

Vibrations