Geometry & MOs

Info

ID:	68314
PubChem CID:	46508174
Reduced:	F3O3N5H18C19 (1)
Stoich.:	A3B3C5D18E19 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-191.96
Dipole, Da:	8.43
IP(EA), eV:	-9.28(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Drug info:

PubChemData

Smile

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)C3=CN=C(C=C3)OCC(F)(F)F)C

DOS

IR

Vibrations