Geometry & MOs

Info

ID:	272130
PubChem CID:	103726286
Reduced:	O2F3N3C13H14 (1)
Stoich.:	A2B3C3D13E14 (1)
Weight, g/mol:	251.088161
ΔH_f, kcal/mol:	-202.77
Dipole, Da:	1.03
IP(EA), eV:	-9.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C(F)(F)F)O)N1C=NC2=CC=CC=C21

DOS

IR

Vibrations