Geometry & MOs

Info

ID:	391042
PubChem CID:	135002419
Reduced:	NO2H23C25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	340.06741
ΔH_f, kcal/mol:	24.61
Dipole, Da:	3.85
IP(EA), eV:	-8.33(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(Z)-1-bromooct-1-enoxy]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C[C@H]([C@H]3C2=CC=CC=C3)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations