Geometry & MOs

Info

ID:	265472
PubChem CID:	103524102
Reduced:	BrNO4C14H22 (1)
Stoich.:	ABC4D14E22 (1)
Weight, g/mol:	318.00222
ΔH_f, kcal/mol:	-146.47
Dipole, Da:	2.98
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-[(E)-5-chloropent-2-en-2-yl]-2,4-dimethoxybenzene

Drug info:

PubChemData

Smile

CC(CNCCOC)(C1=C(C(=C(C=C1)OC)Br)OC)O

DOS

IR

Vibrations