Geometry & MOs

Info

ID:	131599
PubChem CID:	51232517
Reduced:	ClO2F3N3H15C16 (1)
Stoich.:	AB2C3D3E15F16 (1)
Weight, g/mol:	355.149619
ΔH_f, kcal/mol:	-180.45
Dipole, Da:	5.01
IP(EA), eV:	-9.15(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=C(O2)Cl)C3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations