Geometry & MOs

Info

ID:	394089
PubChem CID:	135022311
Reduced:	O3C23H28 (1)
Stoich.:	A3B23C28 (1)
Weight, g/mol:	374.05176
ΔH_f, kcal/mol:	-83.74
Dipole, Da:	1.66
IP(EA), eV:	-8.12(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4,5-dimethoxy-2-[3-(3-methylphenyl)prop-2-ynoxymethyl]benzene

Drug info:

PubChemData

Smile

CCCC/C=C/1\C(OCC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)C

DOS

IR

Vibrations