Geometry & MOs

Info

ID:	416821
PubChem CID:	135090481
Reduced:	FNO4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	-219.27
Dipole, Da:	5.36
IP(EA), eV:	-8.67(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=CC(=C(C=C3)OC)F)O

DOS

IR

Vibrations