Geometry & MOs

Info

ID:	383560
PubChem CID:	134975347
Reduced:	O4C19H22 (1)
Stoich.:	A4B19C22 (1)
Weight, g/mol:	392.06232
ΔH_f, kcal/mol:	-129.73
Dipole, Da:	1.32
IP(EA), eV:	-8.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-bromo-1,4-dimethoxynaphthalen-2-yl)pent-4-en-2-yl] acetate

Drug info:

PubChemData

Smile

C[C@@]1(C2=C(C3=CC=CC=C3C(=C2C[C@@H](O1)CC=C)OC)OC)O

DOS

IR

Vibrations