Geometry & MOs

Info

ID:	421001
PubChem CID:	135115184
Reduced:	FSO2N4C16H19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-85.04
Dipole, Da:	1.13
IP(EA), eV:	-8.9(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@H]1CO)O)C2=CC(=NC(=N2)N)SC3=CC=C(C=C3)F

DOS

IR

Vibrations