Geometry & MOs

Info

ID:	427662
PubChem CID:	135161054
Reduced:	O3N10C24H26 (1)
Stoich.:	A3B10C24D26 (1)
Weight, g/mol:	357.176502
ΔH_f, kcal/mol:	123.51
Dipole, Da:	4.51
IP(EA), eV:	-8.8(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-ethyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C3C=CC(=NC3=N2)N(CC(=NC=NCCN=O)N)C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations