Geometry & MOs

Info

ID:	326135
PubChem CID:	126686667
Reduced:	O2F3N4H21C22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	384.139782
ΔH_f, kcal/mol:	-142.47
Dipole, Da:	7.43
IP(EA), eV:	-9.03(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations