Geometry & MOs

Info

ID:	236643
PubChem CID:	92714302
Reduced:	F2O2N3H17C21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	397.099333
ΔH_f, kcal/mol:	-77.98
Dipole, Da:	5.03
IP(EA), eV:	-8.84(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2-chloro-4-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(=C(C=C4)F)F

DOS

IR

Vibrations