Geometry & MOs

Info

ID:	145676
PubChem CID:	53569695
Reduced:	F3O3N4H11C14 (1)
Stoich.:	A3B3C4D11E14 (1)
Weight, g/mol:	325.099731
ΔH_f, kcal/mol:	-199.03
Dipole, Da:	1.99
IP(EA), eV:	-9.81(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-N-(2-pyridin-2-ylsulfanylpyridin-4-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NNC(=N3)C(F)(F)F

DOS

IR

Vibrations