Geometry & MOs

Info

ID:	326144
PubChem CID:	126686730
Reduced:	O2F3N4H19C21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	412.171082
ΔH_f, kcal/mol:	-140.23
Dipole, Da:	3.22
IP(EA), eV:	-9.08(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations