Geometry & MOs

Info

ID:	421784
PubChem CID:	135116607
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	394.202321
ΔH_f, kcal/mol:	-152.41
Dipole, Da:	2.95
IP(EA), eV:	-8.66(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)COC3=CC=CC=C3OC

DOS

IR

Vibrations