Geometry & MOs

Info

ID:	236591
PubChem CID:	92714139
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	349.122655
ΔH_f, kcal/mol:	6.01
Dipole, Da:	2.13
IP(EA), eV:	-8.28(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N[C@@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=C(C=C4)OC

DOS

IR

Vibrations