Geometry & MOs

Info

ID:	422755
PubChem CID:	135118356
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	320.165541
ΔH_f, kcal/mol:	-173.26
Dipole, Da:	6.0
IP(EA), eV:	-8.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C(C(=O)O)N3CCN(CC3)CCC(=O)O

DOS

IR

Vibrations