Geometry & MOs

Info

ID:	287593
PubChem CID:	104247931
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	-74.7
Dipole, Da:	5.32
IP(EA), eV:	-8.66(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(CN2C3=C(CCC3)C=CC2=O)O)C

DOS

IR

Vibrations