Geometry & MOs

Info

ID:	189383
PubChem CID:	77847787
Reduced:	OF2N7C17H19 (1)
Stoich.:	AB2C7D17E19 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-8.41
Dipole, Da:	5.69
IP(EA), eV:	-9.85(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6-methylpyran-4-one

Drug info:

PubChemData

Smile

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCN4C(=NC=N4)C3

DOS

IR

Vibrations