Geometry & MOs

Info

ID:	305581
PubChem CID:	124960908
Reduced:	N4O5C24H26 (1)
Stoich.:	A4B5C24D26 (1)
Weight, g/mol:	306.184447
ΔH_f, kcal/mol:	-127.53
Dipole, Da:	4.88
IP(EA), eV:	-8.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=CN=C(O2)[C@H]3CCCN(C3)C(=O)CNC(=O)C4=CC(=CN=C4)O

DOS

IR

Vibrations