Geometry & MOs

Info

ID:	70830
PubChem CID:	48413923
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	339.138305
ΔH_f, kcal/mol:	7.65
Dipole, Da:	5.71
IP(EA), eV:	-8.94(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluorophenyl)methoxy]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCC2=CSC=C2

DOS

IR

Vibrations