Geometry & MOs

Info

ID:	236589
PubChem CID:	92714125
Reduced:	O2F3N3H16C21 (1)
Stoich.:	A2B3C3D16E21 (1)
Weight, g/mol:	370.142976
ΔH_f, kcal/mol:	-142.6
Dipole, Da:	3.9
IP(EA), eV:	-8.54(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(7R)-6-(4-methoxyphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@@H](C3=C(C2=O)C=CC=N3)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations