Geometry & MOs

Info

ID:	71028
PubChem CID:	48414197
Reduced:	F2N3O3C14H15 (1)
Stoich.:	A2B3C3D14E15 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	-171.71
Dipole, Da:	4.95
IP(EA), eV:	-9.38(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)OC)OC(F)F

DOS

IR

Vibrations