Geometry & MOs

Info

ID:	227497
PubChem CID:	87561858
Reduced:	BrN4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	142.09938
ΔH_f, kcal/mol:	23.64
Dipole, Da:	4.77
IP(EA), eV:	-8.51(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethenyloxiran-2-yl)butan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)N1CCN(CC1)C2=CN=C(C=N2)Br

DOS

IR

Vibrations