Geometry & MOs

Info

ID:	371515
PubChem CID:	127346754
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-80.22
Dipole, Da:	5.78
IP(EA), eV:	-8.96(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCN(C2)C(=O)CN3C(=O)CN4C5=CC=CC=C5C=C4C3=O

DOS

IR

Vibrations