Geometry & MOs

Info

ID:	161731
PubChem CID:	57392470
Reduced:	ClN2O8H23C24 (1)
Stoich.:	AB2C8D23E24 (1)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	-238.9
Dipole, Da:	6.21
IP(EA), eV:	-8.72(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-2-yl)-1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(O2)/C=N/NC(=O)C3=CC=CC=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl

DOS

IR

Vibrations