Geometry & MOs

Info

ID:	236551
PubChem CID:	92713916
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	357.068033
ΔH_f, kcal/mol:	-20.07
Dipole, Da:	2.98
IP(EA), eV:	-8.16(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2-chloro-4-fluoroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N[C@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4

DOS

IR

Vibrations