Geometry & MOs

Info

ID:	407485
PubChem CID:	135080230
Reduced:	BO3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	282.02554
ΔH_f, kcal/mol:	-252.45
Dipole, Da:	4.38
IP(EA), eV:	-9.71(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(4-bromophenyl)-4,4-dimethylpent-2-enoic acid

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2(CCCC[C@H]2C)O

DOS

IR

Vibrations