Geometry & MOs

Info

ID:	305885
PubChem CID:	124972684
Reduced:	N3O5C25H35 (1)
Stoich.:	A3B5C25D35 (1)
Weight, g/mol:	337.15904
ΔH_f, kcal/mol:	-139.13
Dipole, Da:	1.72
IP(EA), eV:	-8.53(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluorophenyl)-[(3S)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CN2CCC[C@H](C2)C3=NOC(=C3)C(=O)NC4CCCCC4

DOS

IR

Vibrations