Geometry & MOs

Info

ID:	236564
PubChem CID:	92714031
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	379.13322
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	5.77
IP(EA), eV:	-8.23(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)N[C@@H]2C3=C(C=CC=N3)C(=O)N2C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations