Geometry & MOs

Info

ID:	414837
PubChem CID:	135087809
Reduced:	FNOC9H12 (2)
Stoich.:	ABCD9E12 (2)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-174.54
Dipole, Da:	1.7
IP(EA), eV:	-8.97(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CC3=C(C=C(C=C3)F)F)CO

DOS

IR

Vibrations