Geometry & MOs

Info

ID:	236627
PubChem CID:	92714253
Reduced:	FO2N3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	377.153955
ΔH_f, kcal/mol:	-33.59
Dipole, Da:	3.43
IP(EA), eV:	-8.87(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2[C@@H](C3=C(C2=O)C=CC=N3)NC4=CC=C(C=C4)F

DOS

IR

Vibrations