Geometry & MOs

Info

ID:	236569
PubChem CID:	92714049
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-32.39
Dipole, Da:	2.4
IP(EA), eV:	-8.09(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations