Geometry & MOs

Info

ID:	70733
PubChem CID:	48413791
Reduced:	FON5H14C15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	339.133139
ΔH_f, kcal/mol:	7.03
Dipole, Da:	7.28
IP(EA), eV:	-9.61(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(NN=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations