Geometry & MOs

Info

ID:	326139
PubChem CID:	126686703
Reduced:	ClFN5C17H17 (1)
Stoich.:	ABC5D17E17 (1)
Weight, g/mol:	421.116187
ΔH_f, kcal/mol:	18.32
Dipole, Da:	6.0
IP(EA), eV:	-8.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-fluoro-4-(1-methyltriazol-4-yl)phenyl]methyl]-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one

Drug info:

PubChemData

Smile

CC1CCC(C1)NC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl

DOS

IR

Vibrations