Geometry & MOs

Info

ID:	228285
PubChem CID:	87563807
Reduced:	BrN3O3C12H18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	148.954389
ΔH_f, kcal/mol:	-111.03
Dipole, Da:	5.47
IP(EA), eV:	-9.45(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

propan-1-ol;zirconium

Drug info:

PubChemData

Smile

CCCCC1=C(N=C(N=C1Br)NCCOC)C(=O)O

DOS

IR

Vibrations