Geometry & MOs

Info

ID:	415437
PubChem CID:	135088431
Reduced:	NSO3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-102.56
Dipole, Da:	4.27
IP(EA), eV:	-9.11(-0.65)
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-4-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CCC[C@@]3([C@@H]2CCOC3)C4=CCOCC4

DOS

IR

Vibrations