Geometry & MOs

Info

ID:	349823
PubChem CID:	127276215
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-59.93
Dipole, Da:	2.29
IP(EA), eV:	-8.87(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)N1CCCC1CN2CCCCC2)N3C=CC=N3

DOS

IR

Vibrations