Geometry & MOs

Info

ID:	418443
PubChem CID:	135104800
Reduced:	ClO2N5C14H16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	350.13972
ΔH_f, kcal/mol:	-10.45
Dipole, Da:	4.52
IP(EA), eV:	-9.48(-1.04)
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-(4-chloro-2-methylphenoxy)-N-methylacetamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)Cl)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations