Geometry & MOs

Info

ID:	163167
PubChem CID:	57647348
Reduced:	O2F3N4H17C18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	227.117095
ΔH_f, kcal/mol:	-137.45
Dipole, Da:	3.73
IP(EA), eV:	-9.31(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-propylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C1CC1CN(CCC(F)(F)F)C(=O)C2=CC=C(O2)C3=C4C=CNC4=NC=N3

DOS

IR

Vibrations