Geometry & MOs

Info

ID:	289646
PubChem CID:	104363205
Reduced:	ClFNO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	290.082205
ΔH_f, kcal/mol:	-89.99
Dipole, Da:	3.71
IP(EA), eV:	-8.67(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-methylpyrimidin-2-yl)ethanol

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CC(C3=C(C=CC=N3)F)O)Cl

DOS

IR

Vibrations