Geometry & MOs

Info

ID:	236624
PubChem CID:	92714250
Reduced:	FO2N3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	363.138305
ΔH_f, kcal/mol:	-30.43
Dipole, Da:	3.81
IP(EA), eV:	-8.72(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2-fluoroanilino)-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=CC=C4F

DOS

IR

Vibrations