Geometry & MOs

Info

ID:	248083
PubChem CID:	103078789
Reduced:	FCl2N4H9C10 (1)
Stoich.:	AB2C4D9E10 (1)
Weight, g/mol:	253.153875
ΔH_f, kcal/mol:	10.59
Dipole, Da:	3.57
IP(EA), eV:	-8.45(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-1-methylpyrazol-3-yl)-N-ethylmorpholine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=C(C=C(C=C2Cl)F)Cl)N

DOS

IR

Vibrations