Geometry & MOs

Info

ID:	292232
PubChem CID:	114532832
Reduced:	BrCl2N2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	230.151809
ΔH_f, kcal/mol:	26.39
Dipole, Da:	4.48
IP(EA), eV:	-9.11(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-butoxyethyl)-2-methyloxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1CCC(CCl)(CCl)C2=CC=CC=C2Br

DOS

IR

Vibrations