Geometry & MOs

Info

ID:	326127
PubChem CID:	126686628
Reduced:	ClFOSN6C17H18 (1)
Stoich.:	ABCDE6F17G18 (1)
Weight, g/mol:	412.171082
ΔH_f, kcal/mol:	5.37
Dipole, Da:	1.31
IP(EA), eV:	-8.9(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluorobutoxy)-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one

Drug info:

PubChemData

Smile

CSN1CCOCC1CNC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl

DOS

IR

Vibrations