Geometry & MOs

Info

ID:	70875
PubChem CID:	48413986
Reduced:	ClO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	339.138305
ΔH_f, kcal/mol:	-8.21
Dipole, Da:	9.11
IP(EA), eV:	-9.21(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methoxy]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3Cl

DOS

IR

Vibrations