Geometry & MOs

Info

ID:	70732
PubChem CID:	48413789
Reduced:	OSN6C20H22 (1)
Stoich.:	ABC6D20E22 (1)
Weight, g/mol:	299.118238
ΔH_f, kcal/mol:	62.71
Dipole, Da:	4.03
IP(EA), eV:	-9.09(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)NCC4=C(NN=C4)C

DOS

IR

Vibrations