Geometry & MOs

Info

ID:	397413
PubChem CID:	135030185
Reduced:	O3C21H34 (1)
Stoich.:	A3B21C34 (1)
Weight, g/mol:	294.06193
ΔH_f, kcal/mol:	-159.63
Dipole, Da:	1.17
IP(EA), eV:	-9.24(1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-4-bromobut-3-enyl]-4-(1-methoxybut-3-enyl)benzene

Drug info:

PubChemData

Smile

C/C(=C\C[C@@]1([C@H]2CCCC3([C@@]2(CCC1=C)C)OCCO3)C)/CCO

DOS

IR

Vibrations