Geometry & MOs

Info

ID:	406772
PubChem CID:	135078581
Reduced:	BrNO2C27H34 (1)
Stoich.:	ABC2D27E34 (1)
Weight, g/mol:	359.246044
ΔH_f, kcal/mol:	-45.68
Dipole, Da:	4.22
IP(EA), eV:	-8.7(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCC2C(C1)O[C@H](N(C2(C)C)C/C=C/C3=CC=CC=C3OC)C4=CC=CC=C4Br

DOS

IR

Vibrations