Geometry & MOs

Info

ID:	326145
PubChem CID:	126686734
Reduced:	FON2C11H11 (2)
Stoich.:	ABC2D11E11 (2)
Weight, g/mol:	466.142817
ΔH_f, kcal/mol:	-97.2
Dipole, Da:	7.32
IP(EA), eV:	-9.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoropropoxy)-2-[[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2=CC=C(C=C2)CN3CC4=C(C3=O)C(=NC=C4)OCC(C)(F)F

DOS

IR

Vibrations