Geometry & MOs

Info

ID:	236653
PubChem CID:	92714332
Reduced:	O2N3F5H14C21 (1)
Stoich.:	A2B3C5D14E21 (1)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	-198.26
Dipole, Da:	1.66
IP(EA), eV:	-8.89(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-6-benzyl-7-(3-methoxyanilino)-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=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations