Geometry & MOs

Info

ID:	422499
PubChem CID:	135117935
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-31.9
Dipole, Da:	6.21
IP(EA), eV:	-9.05(-0.47)
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,3-dimethyl-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C=C(C=N2)CN3CCC[C@@]3(C)C(=O)O

DOS

IR

Vibrations