Geometry & MOs

Info

ID:	415015
PubChem CID:	135087995
Reduced:	FON4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	354.191898
ΔH_f, kcal/mol:	-28.42
Dipole, Da:	6.79
IP(EA), eV:	-9.11(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)F)NC2=NC(=CN=C2)C(=O)N3CCCC3

DOS

IR

Vibrations