Geometry & MOs

Info

ID:	326137
PubChem CID:	126686696
Reduced:	FON2C11H11 (2)
Stoich.:	ABC2D11E11 (2)
Weight, g/mol:	389.155098
ΔH_f, kcal/mol:	-94.78
Dipole, Da:	3.39
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(2,2-difluorobutoxy)-3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations