Geometry & MOs

Info

ID:	71041
PubChem CID:	48414211
Reduced:	OF3N6C18H19 (1)
Stoich.:	AB3C6D18E19 (1)
Weight, g/mol:	310.154209
ΔH_f, kcal/mol:	-107.5
Dipole, Da:	6.19
IP(EA), eV:	-9.6(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2)C3=NC=C(C=C3)C(F)(F)F)C(C)C

DOS

IR

Vibrations