Geometry & MOs

Info

ID:	411765
PubChem CID:	135084599
Reduced:	NNaO3H6C7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	270.02554
ΔH_f, kcal/mol:	-47.14
Dipole, Da:	6.33
IP(EA), eV:	-8.45(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(4-methoxyphenyl)pent-4-en-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[O-])[N+](=O)[O-].[Na+]

DOS

IR

Vibrations