Geometry & MOs

Info

ID:	346490
PubChem CID:	127270994
Reduced:	O2N3C19H33 (1)
Stoich.:	A2B3C19D33 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	0.95
IP(EA), eV:	-8.78(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1CN2CCCC2)NC(=O)C3CCCCC3

DOS

IR

Vibrations