Geometry & MOs

Info

ID:	175798
PubChem CID:	75949284
Reduced:	N3O4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-89.12
Dipole, Da:	7.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.078406
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)[O-])NC(=O)CN1C(=O)C=CC(=N1)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations