Geometry & MOs

Info

ID:	422434
PubChem CID:	135117828
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	357.125946
ΔH_f, kcal/mol:	-30.38
Dipole, Da:	5.34
IP(EA), eV:	-8.95(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(O2)C(=O)NCC3=NOC(=C3)C4CC4

DOS

IR

Vibrations