Geometry & MOs

Info

ID:	236603
PubChem CID:	92714215
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	3.55
Dipole, Da:	4.0
IP(EA), eV:	-8.21(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(7R)-6-(4-methoxyphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N[C@@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations