Geometry & MOs

Info

ID:	411432
PubChem CID:	135084263
Reduced:	BrON2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	237.99933
ΔH_f, kcal/mol:	41.89
Dipole, Da:	6.76
IP(EA), eV:	-8.67(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1Z)-2-bromobuta-1,3-dienyl]-4-methoxybenzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=C(C3=C2C=CN=C3)Br

DOS

IR

Vibrations