Geometry & MOs

Info

ID:	70902
PubChem CID:	48414022
Reduced:	OF3N5H16C17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	311.108148
ΔH_f, kcal/mol:	-106.05
Dipole, Da:	4.53
IP(EA), eV:	-9.47(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=C(NN=C3)C)C(F)(F)F

DOS

IR

Vibrations