Geometry & MOs

Info

ID:	291640
PubChem CID:	113454691
Reduced:	BrN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-90.73
Dipole, Da:	3.76
IP(EA), eV:	-10.08(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxyphenyl)-(3-methylfuran-2-yl)methanol

Drug info:

PubChemData

Smile

CN(CC1=CC(=CN=C1)Br)C2COCC2C(=O)O

DOS

IR

Vibrations