Geometry & MOs

Info

ID:	326142
PubChem CID:	126686718
Reduced:	O2F4N4H22C23 (1)
Stoich.:	A2B4C4D22E23 (1)
Weight, g/mol:	435.131837
ΔH_f, kcal/mol:	-198.2
Dipole, Da:	6.51
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-4-(2,2,2-trifluoroethoxy)-7H-pyrrolo[3,4-d]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCC(COC1=NC=CC2=C1C(=O)N(C2)CC3=CC=C(C=C3)C4=CN(N=C4)CC(F)F)(F)F

DOS

IR

Vibrations