Geometry & MOs

Info

ID:	422522
PubChem CID:	135117978
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	358.166826
ΔH_f, kcal/mol:	-36.53
Dipole, Da:	3.5
IP(EA), eV:	-8.95(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=NC=C2)N[C@@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations