Geometry & MOs

Info

ID:	70946
PubChem CID:	48414082
Reduced:	ClN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-41.68
Dipole, Da:	4.22
IP(EA), eV:	-8.63(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations