Geometry & MOs

Info

ID:	421625
PubChem CID:	135116314
Reduced:	ClN4C13H21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	13.3
Dipole, Da:	4.47
IP(EA), eV:	-8.71(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1CCN(C1)C2=NC(=NC=C2Cl)C

DOS

IR

Vibrations