Geometry & MOs

Info

ID:	293251
PubChem CID:	117378658
Reduced:	ON4H10C14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	84.97
Dipole, Da:	2.9
IP(EA), eV:	-8.52(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-2-[2-(oxolan-3-yl)phenyl]acetate

Drug info:

PubChemData

Smile

C1=CC2=C(NC3=C2C=C(C=C3)C4=C(ON=C4)N)N=C1

DOS

IR

Vibrations