Geometry & MOs

Info

ID:	168860
PubChem CID:	75028713
Reduced:	N5O5C16H21 (1)
Stoich.:	A5B5C16D21 (1)
Weight, g/mol:	426.145868
ΔH_f, kcal/mol:	-131.38
Dipole, Da:	4.77
IP(EA), eV:	-9.41(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N(CC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)C4CC4

DOS

IR

Vibrations