Geometry & MOs

Info

ID:	414455
PubChem CID:	135087413
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	340.176248
ΔH_f, kcal/mol:	-66.24
Dipole, Da:	2.97
IP(EA), eV:	-8.24(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2(CCCCC2)C(=O)N3C[C@H]([C@H](C3)O)CC4=NNC(=C4)C

DOS

IR

Vibrations