Geometry & MOs

Info

ID:	406288
PubChem CID:	135077126
Reduced:	BrO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	335.224915
ΔH_f, kcal/mol:	-111.2
Dipole, Da:	1.4
IP(EA), eV:	-8.92(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-6-methyl-11-oxo-2-(4-phenylpent-4-enylidene)undec-5-enenitrile

Drug info:

PubChemData

Smile

C1CCC(=C(C1)O[C@H]2C=C[C@H](CO2)O)Br

DOS

IR

Vibrations