Geometry & MOs

Info

ID:	402574
PubChem CID:	135056462
Reduced:	BrKNH5C8 (1)
Stoich.:	ABCD5E8 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	17.93
Dipole, Da:	10.44
IP(EA), eV:	-7.38(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethoxyphenyl)but-3-en-1-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C[N-]2)C=C1Br.[K+]

DOS

IR

Vibrations