Geometry & MOs

Info

ID:	422301
PubChem CID:	135117590
Reduced:	N3O4C15H19 (1)
Stoich.:	A3B4C15D19 (1)
Weight, g/mol:	293.156184
ΔH_f, kcal/mol:	-101.65
Dipole, Da:	2.27
IP(EA), eV:	-9.6(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-methylamino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=C(N=C(O3)C)C

DOS

IR

Vibrations