Geometry & MOs

Info

ID:	236547
PubChem CID:	92713890
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	5.65
Dipole, Da:	1.35
IP(EA), eV:	-8.53(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N[C@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4

DOS

IR

Vibrations