Geometry & MOs

Info

ID:	415115
PubChem CID:	135088101
Reduced:	N3O6C14H15 (1)
Stoich.:	A3B6C14D15 (1)
Weight, g/mol:	320.129156
ΔH_f, kcal/mol:	-183.27
Dipole, Da:	10.18
IP(EA), eV:	-9.91(-0.56)
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]-2-(3-chlorophenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

C1COCC2=C1NN=C2C(=O)N3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations