Geometry & MOs

Info

ID:	265802
PubChem CID:	103547626
Reduced:	BrN2O3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-102.17
Dipole, Da:	3.93
IP(EA), eV:	-9.54(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dioxolan-2-yl)-4-(1-methylimidazol-2-yl)butan-2-ol

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)Br)C(CC2OCCO2)O

DOS

IR

Vibrations