Geometry & MOs

Info

ID:	71027
PubChem CID:	48414196
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	311.108148
ΔH_f, kcal/mol:	10.62
Dipole, Da:	6.41
IP(EA), eV:	-8.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=NC3=C2C(=NN3C(C)(C)C)C)C(C)C

DOS

IR

Vibrations