Geometry & MOs

Info

ID:	236550
PubChem CID:	92713906
Reduced:	BrO2N3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	15.22
Dipole, Da:	2.29
IP(EA), eV:	-8.58(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations