Geometry & MOs

Info

ID:	71037
PubChem CID:	48414206
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	348.060088
ΔH_f, kcal/mol:	-61.64
Dipole, Da:	2.99
IP(EA), eV:	-8.6(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(O2)COC3=CC=CC=C3OC

DOS

IR

Vibrations