Geometry & MOs

Info

ID:	171380
PubChem CID:	75369515
Reduced:	SN3O3H13C15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	288.054635
ΔH_f, kcal/mol:	-24.33
Dipole, Da:	2.79
IP(EA), eV:	-9.14(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-fluoro-6-nitrophenyl)methyl]furo[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)O)/C=C/2\C(=O)N(C(=S)N2)CC3=CC=CO3

DOS

IR

Vibrations