Geometry & MOs

Info

ID:	210818
PubChem CID:	80857684
Reduced:	ClN5C13H18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	263.154624
ΔH_f, kcal/mol:	50.0
Dipole, Da:	4.71
IP(EA), eV:	-8.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)N2C(=C(C(=N2)C)C)C)Cl

DOS

IR

Vibrations