Geometry & MOs

Info

ID:	361412
PubChem CID:	127303310
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	371.140055
ΔH_f, kcal/mol:	59.05
Dipole, Da:	7.76
IP(EA), eV:	-9.0(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=O)C2=CN1)NCC3CCC4=CC=CC=C34

DOS

IR

Vibrations