Geometry & MOs

Info

ID:	342596
PubChem CID:	127265756
Reduced:	FNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-149.68
Dipole, Da:	6.1
IP(EA), eV:	-8.93(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=CC1=CC(=C(C=C1)OC)F)C(=O)N2CCCC2CO

DOS

IR

Vibrations