Geometry & MOs

Info

ID:	30444
PubChem CID:	841344
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	281.073118
ΔH_f, kcal/mol:	-65.18
Dipole, Da:	4.62
IP(EA), eV:	-8.93(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(4-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NN=C2CCC(CC2)C(C)(C)C

DOS

IR

Vibrations