Geometry & MOs

Info

ID:	413725
PubChem CID:	135086675
Reduced:	O2C21H26 (1)
Stoich.:	A2B21C26 (1)
Weight, g/mol:	324.07249
ΔH_f, kcal/mol:	-77.97
Dipole, Da:	2.07
IP(EA), eV:	-8.95(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethylbutan-2-yl (E)-3-(2-bromophenyl)-2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C/C(=C\C1=CC2=CC=CC=C2C=C1)/C(=O)OC(C)(C)C(C)(C)C

DOS

IR

Vibrations