Geometry & MOs

Info

ID:	145317
PubChem CID:	53497495
Reduced:	O3N6F7H19C25 (1)
Stoich.:	A3B6C7D19E25 (1)
Weight, g/mol:	332.148455
ΔH_f, kcal/mol:	-310.82
Dipole, Da:	10.9
IP(EA), eV:	-9.5(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=C(C=C2)C(C(CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)OC(=O)CN)(F)F)OCC(F)(F)F

DOS

IR

Vibrations