Geometry & MOs

Info

ID:	420904
PubChem CID:	135115021
Reduced:	ON6C19H26 (1)
Stoich.:	AB6C19D26 (1)
Weight, g/mol:	338.180584
ΔH_f, kcal/mol:	25.06
Dipole, Da:	3.29
IP(EA), eV:	-9.08(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1C(C)C(=O)N(CCN(C)C)CC3=CN=CN3

DOS

IR

Vibrations