Geometry & MOs

Info

ID:	406120
PubChem CID:	135076595
Reduced:	OSiC16H26 (1)
Stoich.:	ABC16D26 (1)
Weight, g/mol:	360.03611
ΔH_f, kcal/mol:	-110.87
Dipole, Da:	0.89
IP(EA), eV:	-8.78(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-4-(4-oxo-3-phenylbutyl)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1CCC2=CC=CC=C2C1

DOS

IR

Vibrations